data_1wi6_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 1wi6 _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 ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.439 HG22 ' CG1' ' A' ' 118' ' ' ILE . 2.7 pp -133.86 164.4 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 105' ' ' PHE . 11.2 tp -138.64 123.08 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 74' ' ' LEU . 75.0 mt -111.17 125.02 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -113.25 132.91 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 77.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 103' ' ' THR . 44.5 mt -109.57 152.49 42.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.553 0.692 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.43 42.09 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -11.99 64.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.04 19.88 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.03 113.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -119.89 164.41 16.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.443 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 2.1 p-10 -54.03 -35.24 61.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -62.08 -34.12 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.27 -45.95 85.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 84' ' ' HIS . 18.1 m -69.87 -39.06 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.448 ' N ' HG22 ' A' ' 83' ' ' VAL . 21.1 m-70 -61.93 -45.66 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -66.12 -37.97 87.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.498 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 67.2 tp -61.12 -41.95 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.01 35.3 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -81.11 14.38 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.34 -23.79 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.441 ' CB ' HD23 ' A' ' 108' ' ' LEU . 13.3 m-85 -109.56 177.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 109.34 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.38 93.27 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -72.31 -39.39 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 19.2 t80 -142.13 133.18 26.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 p -123.61 129.09 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 18.1 t80 -138.42 133.49 32.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.3 t -133.73 117.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.7 t0 -116.95 98.26 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -67.92 -41.3 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.96 -67.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -69.54 -38.8 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.68 34.8 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.463 ' N ' HD12 ' A' ' 74' ' ' LEU . 52.2 p -136.84 168.94 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.0 129.54 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.9 m-85 -112.3 124.41 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.76 135.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -111.07 115.44 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 90' ' ' TYR . 8.6 mt -87.41 -179.31 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.94 -67.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -105.25 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.76 -26.91 33.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.42 -46.41 86.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -66.47 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.43 ' N ' HD12 ' A' ' 108' ' ' LEU . . . -67.85 -43.55 79.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.17 -44.78 94.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.35 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.6 -44.0 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 77.4 mt -67.96 -40.04 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -58.87 -44.83 91.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -78.17 -49.02 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.6 m-30 -61.98 -30.81 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 37.8 t60 -68.99 156.13 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 4.0 pt20 45.29 31.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.9 p -98.75 174.67 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -139.37 148.36 42.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.4 tp -145.59 116.16 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 61.15 47.48 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 58.84 54.9 4.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -152.48 151.36 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 47.6 tt0 -89.68 128.33 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mt -106.97 132.96 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 m -108.9 127.69 54.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.1 139.42 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -155.86 161.61 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.12 143.31 55.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 69' ' ' ILE . 2.7 pp -122.55 160.94 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD11 ' CE1' ' A' ' 105' ' ' PHE . 10.9 tp -137.51 124.94 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.84 144.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.45 132.87 47.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' O ' ' CZ ' ' A' ' 129' ' ' ARG . . . 90.82 78.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -114.08 149.28 41.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.73 20.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.13 -15.09 78.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -102.93 6.14 38.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.06 112.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -119.96 170.26 9.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 14.6 t-20 -57.19 -31.81 65.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -62.36 -34.07 75.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.19 -46.02 85.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 14.5 m -69.99 -39.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.49 -47.97 76.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.01 -37.5 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 68.1 tp -64.99 -38.63 91.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.66 34.14 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -82.36 15.21 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -108.51 -18.05 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -115.5 176.31 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.34 108.18 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.8 mt -85.59 94.55 9.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -38.34 62.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.0 t80 -141.09 134.06 29.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.51 129.76 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 48.4 t80 -141.71 128.16 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.48 119.93 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 10.6 t0 -116.9 102.43 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 15.3 ptmt -72.22 -39.57 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.6 m-85 -43.39 -69.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -67.54 -33.24 74.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.42 33.29 6.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.4 p -136.45 162.36 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.96 43.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 70' ' ' LEU . 96.9 m-85 -115.54 124.79 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.19 138.16 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.9 m -114.04 115.39 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 114' ' ' ALA . 13.2 mt -86.93 179.93 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -71.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.91 -177.05 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.79 -20.41 61.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.54 -47.38 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.41 ' C ' HD11 ' A' ' 108' ' ' LEU . 79.4 mt-30 -64.71 -34.33 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 108' ' ' LEU . . . -66.24 -46.6 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.98 -46.05 89.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.35 97.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.37 -43.92 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.3 mt -67.27 -40.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -57.28 -46.75 82.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.9 m -77.54 -48.64 16.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.9 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.9 t60 -70.94 167.41 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.66 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 122' ' ' HIS . 24.6 p -101.35 171.5 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -136.74 148.12 47.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.5 tp -140.04 135.19 32.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 41.97 44.48 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 62.83 54.18 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -153.39 143.74 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.95 128.65 33.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -108.71 130.78 55.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -104.8 123.86 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.16 140.78 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.73 161.66 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.08 141.37 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.909 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -129.74 161.01 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.086 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 HD12 ' CE2' ' A' ' 105' ' ' PHE . 6.9 tp -136.66 121.51 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.78 143.08 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -126.58 133.07 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.43 ' O ' ' NH1' ' A' ' 129' ' ' ARG . . . 89.64 81.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 103' ' ' THR . 33.9 mt -113.27 150.28 42.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HB3' ' CD ' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.77 164.95 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.0 -5.5 61.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.25 18.66 13.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 p -67.84 114.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.34 163.37 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -54.14 -35.31 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -60.13 -36.3 77.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.98 -44.76 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -62.51 -48.02 81.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.56 -37.4 86.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.58 -38.96 92.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 90' ' ' TYR . 14.4 mt -112.94 34.26 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -82.82 17.57 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.07 -23.74 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.404 ' CD1' HD22 ' A' ' 87' ' ' LEU . 5.7 m-85 -107.44 178.22 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.65 107.83 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.36 94.35 9.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -72.03 -35.1 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 36.0 t80 -149.43 132.06 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.05 129.62 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 53.1 t80 -141.49 126.66 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 68.8 t -127.18 120.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -115.87 95.51 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -33.04 74.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.21 -54.78 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -81.1 10.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.422 ' C ' HG21 ' A' ' 103' ' ' THR . . . 51.15 30.38 23.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 102' ' ' GLY . 42.7 p -139.68 165.95 25.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.54 129.62 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 70' ' ' LEU . 65.7 m-85 -110.29 126.7 54.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 107' ' ' THR . 65.9 t -128.89 138.26 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.441 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.6 m -108.21 113.08 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 mt -85.15 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.68 -67.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -120.42 -177.89 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.68 -24.63 74.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.94 -43.0 99.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.8 -32.48 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.23 -46.31 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.7 -46.26 90.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.8 93.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.562 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . . . -65.39 -43.03 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 75.1 mt -67.84 -40.17 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.05 -44.26 82.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.9 m -79.6 -49.0 12.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 117' ' ' ALA . 13.4 m-30 -61.81 -27.72 68.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.3 t-80 -70.15 167.38 17.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.1 pt20 43.66 25.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.4 p -93.86 170.38 9.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -142.43 145.79 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' ARG . 24.4 tp -139.51 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' HB3' ' A' ' 75' ' ' PRO . 40.0 mtp85 38.95 36.82 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 67.09 45.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -142.94 152.07 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.454 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 44.5 tt0 -84.21 123.28 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 126' ' ' LEU . 7.6 mt -100.45 130.14 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -105.1 127.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.4 135.31 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -149.61 166.85 28.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.57 144.72 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.48 153.14 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.517 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.7 tp -136.14 125.79 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.2 mt -117.4 143.61 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 14.4 mtp-105 -126.5 137.15 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 86.04 81.91 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD12 ' CA ' ' A' ' 103' ' ' THR . 67.8 mt -108.51 150.12 40.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.27 3.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.93 -15.14 78.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.21 11.15 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 14.9 p -60.94 107.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 168.19 11.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -54.07 -32.38 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -64.98 -33.95 77.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.97 -45.5 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 84' ' ' HIS . 18.3 m -69.9 -41.38 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.446 ' N ' HG22 ' A' ' 83' ' ' VAL . 7.7 m-70 -62.14 -47.97 82.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.59 -32.83 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.62 -41.99 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 117' ' ' ALA . 12.7 mt -113.17 36.6 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' TYR . 59.3 p -74.37 -48.07 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.8 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.72 -41.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' SER . 15.8 m-85 -89.27 177.16 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.64 107.26 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.3 mt -79.42 96.12 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -75.98 -38.74 57.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 10.1 t80 -138.77 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 18.1 p -122.06 128.78 51.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 59.8 t80 -141.7 121.53 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.8 t -123.29 117.57 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -116.73 94.72 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -66.84 -46.35 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.8 m-85 -34.37 -67.62 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -67.64 -34.21 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 29.56 7.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.468 ' CA ' HD12 ' A' ' 74' ' ' LEU . 43.7 p -137.76 169.24 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.67 135.09 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.5 m-85 -115.51 125.62 53.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 107' ' ' THR . 58.3 t -131.96 140.7 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 106' ' ' VAL . 6.6 m -111.13 115.82 30.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.18 178.62 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.31 -63.19 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -105.59 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.51 -29.92 38.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.92 -42.41 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.06 -38.38 86.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.86 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.2 -45.72 92.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . . . -65.26 -43.92 89.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 85.8 mt -67.88 -40.8 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.18 -45.59 83.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.3 m -77.62 -49.11 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 117' ' ' ALA . 13.7 m-30 -63.62 -23.52 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 20.4 t-80 -71.04 167.38 19.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.0 pt20 43.75 25.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p -95.66 169.31 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.94 153.03 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.458 ' CB ' HD11 ' A' ' 131' ' ' LEU . 61.6 tp -147.92 132.77 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 48.76 42.88 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 58.79 45.72 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -138.64 145.59 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.98 124.93 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 73' ' ' GLY . 10.7 mt -109.46 132.98 53.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.4 122.81 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -126.74 136.41 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.05 161.48 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.09 146.01 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.18 160.04 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.32 125.54 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.7 142.39 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -133.89 132.03 39.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.52 68.84 1.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 102' ' ' GLY . 26.8 mt -102.49 151.8 38.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.19 7.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.358 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -17.64 77.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.78 9.24 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.61 108.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -119.94 168.69 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -54.15 -33.75 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.08 -38.98 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.92 -45.0 91.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.99 -38.93 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.78 -46.7 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -64.64 -38.99 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.98 -38.72 79.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.04 34.55 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -80.59 11.85 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -108.35 -21.32 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -111.08 170.7 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -77.35 107.24 9.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.64 93.37 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' HE2' ' A' ' 93' ' ' LYS . 1.4 mmpt? -69.37 -41.81 76.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -143.54 132.95 23.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.99 130.01 55.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 28.0 t80 -141.67 134.24 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.29 118.46 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 102.83 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 10.0 ptpt -73.62 -44.72 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 11.5 m-85 -36.14 -68.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -68.79 -35.46 77.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' HD13 ' A' ' 74' ' ' LEU . . . 99.23 28.22 7.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.4 p -129.75 165.74 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -138.84 130.39 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.76 124.6 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.97 131.83 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -104.25 112.99 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.85 -179.02 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.45 -71.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -120.36 179.19 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.97 -23.2 74.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.443 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 4.6 mp0 -58.02 -48.48 79.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -70.97 -34.12 71.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.1 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -63.51 -46.38 86.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.17 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -69.26 -44.04 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 84.7 mt -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.34 -47.83 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.8 m -78.22 -49.01 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.8 m-30 -59.13 -29.28 67.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 62.3 t60 -70.21 161.56 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.1 pt20 45.57 28.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.8 p -98.53 171.15 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -142.82 151.67 41.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.462 ' CB ' HD12 ' A' ' 131' ' ' LEU . 13.4 tp -143.67 146.77 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 126' ' ' LEU . 23.8 mmt85 36.25 40.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 63.44 53.67 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.4 146.13 28.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.464 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 38.8 tt0 -80.23 124.27 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 126' ' ' LEU . 6.7 mt -106.83 129.88 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -105.28 124.68 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.5 132.82 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -154.47 159.68 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.59 141.25 57.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.71 159.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.55 132.81 42.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CG2' HD22 ' A' ' 74' ' ' LEU . 75.9 mt -108.89 145.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HB2' ' CB ' ' A' ' 132' ' ' SER . 21.0 mmm-85 -123.28 139.96 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.89 81.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 103' ' ' THR . 83.8 mt -100.85 150.49 37.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.73 58.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.82 21.84 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 14.7 p -65.67 111.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.1 t -120.06 166.26 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.91 -32.7 54.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.27 -38.48 91.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -64.25 -44.36 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.02 -38.96 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -63.19 -47.88 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 -37.16 86.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.0 tp -60.47 -41.9 95.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.32 36.48 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -83.48 18.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.49 -26.32 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.5 -179.64 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -83.83 107.41 16.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.2 mt -87.94 94.4 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -77.71 -35.67 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -142.34 131.93 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.1 p -126.01 130.13 50.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -139.06 133.2 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.6 t -126.66 126.21 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -116.96 109.28 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.9 ptpp? -83.63 -29.96 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 m-85 -59.96 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 34.33 7.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.459 ' N ' HD12 ' A' ' 74' ' ' LEU . 74.6 p -137.92 168.58 19.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.2 130.24 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -112.48 124.12 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 107' ' ' THR . 61.2 t -132.3 136.8 55.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 106' ' ' VAL . 6.5 m -105.26 113.09 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.87 -178.88 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.3 tp -81.71 -62.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -105.39 177.56 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.68 29.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.44 -42.43 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.52 -33.77 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.58 72.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.79 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.552 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.09 -43.48 87.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 97.0 mt -67.68 -39.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -58.47 -46.59 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -77.61 -49.12 15.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 13.0 m-30 -59.26 -35.13 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.7 t-80 -65.81 167.37 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.5 pt20 43.81 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.5 p -97.61 172.35 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.424 ' CA ' HD11 ' A' ' 131' ' ' LEU . 63.1 mtm180 -141.21 154.9 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 tp -151.89 127.32 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 55.77 37.71 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.42 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.68 146.28 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.66 122.52 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.424 HD11 ' CA ' ' A' ' 125' ' ' ARG . 7.0 mt -98.05 133.05 43.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -106.72 142.96 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.1 t -142.34 138.94 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -148.05 160.9 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.87 144.66 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.96 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -136.08 159.78 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 71' ' ' ILE . 2.8 tp -136.53 126.2 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.41 ' N ' HD11 ' A' ' 70' ' ' LEU . 69.0 mt -115.35 137.06 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -122.63 134.84 54.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.34 81.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 mt -119.02 152.35 51.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -173.46 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.66 -0.14 67.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -114.17 -0.98 13.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 p -57.14 108.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -117.36 170.67 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.447 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -57.18 -33.73 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -61.59 -34.0 74.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.22 -45.94 86.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 84' ' ' HIS . 16.7 m -69.98 -39.73 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.454 ' N ' HG23 ' A' ' 83' ' ' VAL . 21.2 m-70 -61.29 -47.89 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -64.73 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.4 -40.08 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -107.92 34.49 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 t -82.8 15.05 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.42 -24.22 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.45 -176.8 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.51 109.14 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.07 93.42 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -75.08 -36.33 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -143.57 132.03 22.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 12.1 p -123.36 129.5 51.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -141.2 121.04 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.61 120.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -116.65 95.08 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' TYR . 9.6 pttt -65.83 -47.56 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 m-85 -35.06 -68.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -28.1 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 31.45 9.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p -136.84 159.46 41.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.24 132.68 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -114.81 123.14 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 107' ' ' THR . 27.6 t -125.87 141.25 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.435 ' N ' HG12 ' A' ' 106' ' ' VAL . 4.4 m -115.63 119.26 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 114' ' ' ALA . 18.0 mt -96.86 174.56 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.3 -72.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -103.48 -175.29 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.51 -23.44 50.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.15 -45.81 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.9 -41.35 87.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.427 ' N ' HD12 ' A' ' 108' ' ' LEU . . . -61.33 -44.29 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.19 -44.34 79.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.03 91.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -65.67 -43.7 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -66.26 -40.08 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -55.61 -46.7 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.4 m -77.51 -48.75 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 8.9 t-80 -71.1 169.25 15.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.615 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 33.89 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' HIS . 91.4 p -100.29 -179.39 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 25.4 mtm105 -141.14 152.03 44.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -149.49 126.83 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 53.92 37.78 27.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 64.9 51.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.468 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -151.17 146.27 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.457 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.2 tp10 -80.75 123.68 28.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 73' ' ' GLY . 14.1 mt -106.06 132.33 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -105.46 125.52 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.3 137.25 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -155.91 161.96 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.24 141.75 57.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.42 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.07 161.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 tp -139.86 128.81 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mt -115.67 141.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.31 134.24 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.07 81.11 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.9 mt -114.09 149.66 42.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.41 8.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.75 -6.19 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.42 3.74 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.93 115.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -119.46 166.83 12.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 18.5 p30 -56.71 -31.78 64.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.76 -34.4 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.04 -45.52 88.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.5 m -69.98 -40.28 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.402 ' N ' HG23 ' A' ' 83' ' ' VAL . 14.7 m-70 -64.17 -46.65 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.17 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.94 33.68 4.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 t -81.69 15.4 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -107.66 -23.11 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -112.44 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.99 109.84 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 106' ' ' VAL . 31.8 mt -88.24 91.64 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -70.43 -32.47 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -158.31 132.03 7.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.4 t -125.8 129.6 49.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -134.07 121.58 21.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 83' ' ' VAL . 80.6 t -117.33 120.29 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -109.3 111.38 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.2 ptpp? -86.64 -14.48 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.489 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 1.7 m-85 -74.71 -58.86 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -76.72 -21.34 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.92 33.12 16.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -140.95 163.36 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.0 131.64 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 125.6 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 92' ' ' LEU . 47.4 t -131.24 138.14 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.8 m -107.49 116.52 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 177.51 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.13 -66.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -102.9 177.71 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.29 32.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.01 -44.02 87.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.09 -39.7 95.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.35 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.97 -44.1 85.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.08 99.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -68.17 -43.01 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 70.8 mt -67.7 -39.99 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.29 -47.98 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 89.1 m -78.83 -48.41 14.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.3 m-30 -61.33 -26.31 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 71.6 t60 -70.36 164.51 24.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 13.0 pt20 42.04 27.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -99.1 178.89 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -142.85 149.89 39.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 127' ' ' ARG . 48.5 tp -141.2 143.35 34.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 126' ' ' LEU . 2.0 mmp_? 36.72 42.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 64.62 54.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -154.99 145.77 22.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.8 tt0 -80.78 124.33 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 57.3 mt -102.64 131.54 49.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -107.41 121.24 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.54 141.99 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -155.08 161.33 41.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.14 142.4 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.42 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.411 ' C ' HD11 ' A' ' 69' ' ' ILE . 2.7 pp -124.9 164.42 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.6 tp -140.0 126.9 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.6 mt -115.37 131.55 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -114.54 136.99 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.55 81.72 1.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -118.18 147.96 42.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.22 14.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.273 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.17 3.6 76.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -119.57 -0.69 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.96 116.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -119.93 166.51 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.444 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 45.0 m-80 -54.14 -33.02 56.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.18 -34.11 75.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -70.03 -40.49 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 83' ' ' VAL . 21.9 m-70 -63.62 -47.88 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.87 -37.42 87.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 tp -65.67 -36.11 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 mt -114.77 34.98 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -82.97 12.55 4.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.84 -24.87 12.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.46 -177.94 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.43 109.63 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.99 97.79 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -76.1 -36.85 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.1 t80 -143.13 133.12 24.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.29 126.9 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 49.4 t80 -141.48 124.84 16.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.1 t -121.88 117.88 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.27 96.28 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -74.93 -37.13 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -41.45 -58.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -78.37 -26.64 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 30.92 8.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 p -140.96 158.05 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 111.179 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.83 130.08 48.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.43 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.3 m-85 -109.93 124.41 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 107' ' ' THR . 30.8 t -132.72 139.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.401 ' N ' HG11 ' A' ' 106' ' ' VAL . 4.2 m -112.2 119.73 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 114' ' ' ALA . 15.1 mt -91.1 175.96 6.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.77 -71.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.34 -175.81 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.81 -22.58 52.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.06 -41.81 97.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.85 -37.36 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 108' ' ' LEU . . . -61.99 -46.73 87.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.0 -43.74 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -67.45 -43.87 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.9 mt -66.84 -39.97 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.37 -45.15 80.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.5 m -78.96 -48.53 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -61.87 -25.82 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 34.0 t60 -70.73 157.59 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.9 pt20 47.19 26.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.5 p -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -133.61 154.49 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 127' ' ' ARG . 32.3 tp -150.01 134.57 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.458 ' HG2' ' CD1' ' A' ' 126' ' ' LEU . 18.4 mmt180 41.08 36.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 69.69 52.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -153.14 144.76 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 28.3 tt0 -80.15 125.08 29.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 20.5 mt -101.07 131.0 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -104.33 120.05 40.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.66 135.54 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.87 158.87 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.14 142.7 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.15 164.59 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -139.9 122.94 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.44 141.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -129.0 141.46 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.22 71.67 1.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.8 mt -106.81 151.78 40.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.22 3.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.88 -11.05 82.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -106.0 -1.33 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.0 p -46.18 109.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -119.75 170.52 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.425 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 10.7 p30 -56.91 -31.3 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.86 -34.35 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.98 -45.2 90.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 84' ' ' HIS . 16.7 m -69.66 -39.73 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.46 ' N ' HG23 ' A' ' 83' ' ' VAL . 19.9 m-70 -65.4 -48.07 74.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.25 -37.1 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.58 -41.99 98.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.14 36.83 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -83.18 16.42 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.35 -24.58 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -108.45 178.88 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.91 110.31 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.5 mt -91.64 93.5 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -73.38 -37.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -143.17 135.46 27.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.2 p -124.3 129.99 51.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -138.59 125.94 21.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 83' ' ' VAL . 49.2 t -126.16 117.41 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.86 103.81 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 17.8 ptmt -76.13 -37.77 57.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 14.6 m-85 -42.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -67.77 -31.34 71.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.16 31.79 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.5 p -137.59 156.82 47.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.92 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -118.38 124.87 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 107' ' ' THR . 45.4 t -128.25 138.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.423 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.4 m -109.12 119.78 40.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.0 mt -93.42 177.87 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.7 -73.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -98.89 -177.17 3.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.45 -16.62 60.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.12 -46.68 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.61 -34.46 78.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -46.59 84.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -64.31 -46.08 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.71 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.71 -43.95 82.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 86.0 mt -67.57 -40.31 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.08 -46.66 82.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 24.3 m -77.54 -48.75 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -60.31 -30.5 69.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 26.6 t-80 -70.62 168.62 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 8.6 pt20 42.29 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 122' ' ' HIS . 49.5 p -94.28 178.48 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -140.76 155.49 46.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.2 tp -150.86 135.12 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 39.55 41.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 65.28 53.89 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -153.22 145.97 24.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.456 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 32.3 tt0 -82.08 124.01 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 73' ' ' GLY . 40.1 mt -99.86 132.66 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -103.41 124.79 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.84 134.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.69 163.54 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.07 142.35 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -137.83 157.21 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 tp -140.66 129.66 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.5 mt -116.41 144.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 -129.57 132.13 46.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.24 81.74 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 103' ' ' THR . 55.3 mt -109.86 149.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 174.72 9.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.94 -19.04 79.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -99.72 3.7 45.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 10.1 p -55.79 105.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -119.46 170.9 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -55.47 -32.89 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -64.04 -34.75 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.81 -46.02 83.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 84' ' ' HIS . 24.0 m -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 83' ' ' VAL . 18.6 m-70 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -60.96 -33.96 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.434 HD13 ' CE1' ' A' ' 121' ' ' PHE . 47.1 tp -71.16 -31.85 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -118.41 28.87 8.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' HIS . 1.1 m -83.21 12.14 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.04 -23.53 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.29 -174.81 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.26 108.74 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.3 mt -90.51 96.2 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -78.15 -37.37 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -141.85 132.28 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.65 128.57 48.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 1.1 t80 -141.64 120.85 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' N ' ' CD1' ' A' ' 96' ' ' PHE . 26.0 t -118.56 119.09 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 3.9 p30 -113.93 108.84 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -82.27 -34.57 28.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -49.31 -64.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -30.33 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.6 33.06 7.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.453 ' N ' HD11 ' A' ' 74' ' ' LEU . 58.2 p -137.72 171.85 13.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.18 129.65 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -115.66 124.21 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 107' ' ' THR . 21.5 t -132.89 142.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.434 ' N ' HG11 ' A' ' 106' ' ' VAL . 9.8 m -113.0 115.59 28.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.3 mt -87.88 176.63 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 tp -70.67 -72.13 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -104.03 179.68 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.05 -21.43 63.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -59.86 -46.95 87.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.4 -39.82 89.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.98 88.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.28 -43.34 82.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.13 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -64.66 -44.02 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.65 -40.09 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.22 -45.82 75.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.8 m -79.63 -49.0 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 12.8 m-30 -60.23 -27.18 66.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 56.0 t60 -68.58 158.63 33.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.5 pt20 45.9 27.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.3 p -97.06 172.95 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 -140.62 149.54 42.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' ARG . 29.7 tp -142.13 145.84 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.7 mmt-85 38.51 38.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.7 44.84 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -144.06 146.21 32.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 9.4 tm-20 -81.18 123.68 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.413 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 12.4 mt -104.04 132.99 49.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -105.23 122.62 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.46 135.71 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -151.77 158.39 43.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.97 142.87 57.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.23 158.86 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -140.71 123.77 16.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -112.7 141.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -126.05 132.43 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.2 79.31 1.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' CA ' ' A' ' 103' ' ' THR . 61.3 mt -105.22 151.49 39.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 153.76 68.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -6.35 13.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -118.23 19.14 13.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -68.57 117.96 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -119.3 166.14 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -57.67 -37.37 73.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -59.22 -38.58 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.0 -45.34 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.99 -40.03 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CD2' ' SG ' ' A' ' 95' ' ' CYS . 6.6 m-70 -65.87 -47.71 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.21 -31.35 72.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.08 -38.98 90.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.81 34.65 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -80.14 10.01 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.97 -22.96 15.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -113.23 178.21 4.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.85 107.23 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.3 mt -86.91 91.91 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.4 t80 -151.93 132.05 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' ' CD2' ' A' ' 84' ' ' HIS . 14.9 t -126.01 129.36 49.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 43.4 t80 -133.58 132.67 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.0 t -124.63 119.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.5 t0 -115.82 102.27 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -74.05 -45.69 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -37.5 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -67.78 -28.95 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 30.14 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.459 ' CA ' HD11 ' A' ' 74' ' ' LEU . 66.4 p -137.49 157.53 46.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.45 136.87 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.544 ' CE1' HD12 ' A' ' 70' ' ' LEU . 94.4 m-85 -120.86 125.2 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 107' ' ' THR . 31.9 t -130.93 141.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.441 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.7 m -108.62 120.52 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 113' ' ' GLN . 14.8 mt -95.44 175.08 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.49 -74.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -178.38 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.21 -16.07 78.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.99 -49.18 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.41 ' CB ' HD11 ' A' ' 108' ' ' LEU . 87.6 mt-30 -68.84 -33.4 73.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.16 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.12 -45.05 95.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.33 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.38 -42.94 95.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 65.0 mt -68.04 -39.98 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.69 -46.93 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -78.49 -48.82 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -60.51 -28.75 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 47.3 t60 -71.01 161.26 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.472 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 9.9 pt20 46.17 26.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.9 p -98.49 169.23 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -137.84 152.09 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.436 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.4 tp -143.7 142.58 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 38.8 38.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 65.9 49.15 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.9 146.14 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 12.4 pt-20 -79.83 125.33 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.9 mt -103.76 133.06 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 m -110.14 121.04 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -127.05 137.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.69 162.1 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.04 140.08 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 pp -138.52 155.4 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 105' ' ' PHE . 9.6 tp -126.8 121.66 32.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.31 144.97 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -130.34 133.74 46.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.67 75.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 103' ' ' THR . 56.9 mt -104.01 154.39 38.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.82 40.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.62 -7.49 65.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.06 19.09 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.5 p -63.58 113.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -120.06 163.78 17.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.428 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 6.0 m120 -54.16 -31.3 52.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -66.14 -33.99 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.95 -45.16 90.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -69.37 -39.26 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -62.99 -48.04 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.61 -37.85 87.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 62.3 tp -63.49 -39.93 95.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.5 35.75 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -82.53 16.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -24.55 10.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.89 175.61 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -82.51 108.92 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.09 91.42 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -69.65 -37.58 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -143.32 131.96 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 p -126.01 126.86 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -142.03 132.85 25.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.1 t -124.55 117.84 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.07 94.08 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -65.51 -38.74 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -49.71 -58.41 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.59 22.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 38.42 35.27 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.45 ' N ' HD13 ' A' ' 74' ' ' LEU . 78.8 p -138.13 168.88 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.93 131.09 21.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 70' ' ' LEU . 99.4 m-85 -109.49 124.04 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 107' ' ' THR . 60.4 t -128.68 141.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.466 ' N ' HG11 ' A' ' 106' ' ' VAL . 2.6 m -116.38 117.44 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.36 -179.77 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 -70.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -107.18 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.33 -26.75 50.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.67 -46.67 86.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.61 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.4 -46.27 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.09 91.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -64.26 -43.7 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 95.5 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.33 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.8 m -79.25 -48.7 13.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 12.7 m-30 -63.66 -26.53 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 50.2 t60 -69.89 158.89 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 30.3 pt20 40.75 40.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -107.85 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -139.92 143.43 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.69 119.33 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 57.58 45.56 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 60.4 48.17 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.61 147.68 32.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.5 tp10 -84.31 124.91 31.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.7 mt -103.8 132.85 49.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 138.57 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -140.26 130.98 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -150.84 166.35 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.39 145.74 53.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . 0.402 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 1.5 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.533 0.682 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.408 ' CD1' ' C ' ' A' ' 69' ' ' ILE . 2.0 pp -139.87 164.68 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.539 HD12 ' CZ ' ' A' ' 105' ' ' PHE . 5.6 tp -138.2 125.97 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.02 141.49 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -122.43 132.57 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 79.3 1.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.8 mt -106.42 150.48 39.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 156.22 63.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.16 -17.97 56.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.51 13.69 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 14.7 p -66.01 108.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -118.16 170.53 8.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -56.42 -31.03 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -65.1 -34.36 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -46.11 79.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 84' ' ' HIS . 27.5 m -70.0 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.465 ' N ' HG22 ' A' ' 83' ' ' VAL . 5.3 m-70 -63.55 -48.16 78.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.49 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.57 -41.51 98.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 mt -114.21 34.43 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -73.97 -48.44 30.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.82 -37.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.05 173.73 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -87.0 107.85 18.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 mt -79.49 94.32 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.2 mptp? -69.5 -43.04 73.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -139.48 133.02 30.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -118.53 129.83 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 11.5 t80 -142.05 121.05 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.82 118.22 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -117.12 100.89 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' TYR . 19.2 ptmt -74.8 -44.22 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 19.4 m-85 -37.14 -67.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.74 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.2 29.5 6.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 p -135.12 163.03 30.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 97.9 m-85 -110.55 123.47 50.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.2 t -132.5 132.68 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -104.08 112.94 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.17 176.63 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 93' ' ' LYS . 31.3 tp -51.36 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -136.24 -175.31 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.9 -24.81 74.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 41.6 mm-40 -60.83 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.18 -33.8 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.12 75.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.73 -46.95 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -68.47 -42.63 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 86.4 mt -67.09 -39.89 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -55.06 -47.64 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 56.8 m -79.21 -49.06 13.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -58.53 -29.98 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 35.8 t60 -71.04 159.29 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 5.6 pt20 49.54 28.32 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.3 p -100.3 170.78 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -138.33 145.51 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.411 ' CB ' HD12 ' A' ' 131' ' ' LEU . 21.5 tp -141.89 142.35 33.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 40.61 39.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 62.2 51.75 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.37 146.93 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 14.8 tp10 -79.73 125.37 29.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 126' ' ' LEU . 9.1 mt -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.03 125.93 54.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.3 t -128.88 135.65 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -151.11 165.75 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.17 139.77 40.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 110.958 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.61 160.09 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 105' ' ' PHE . 10.5 tp -138.72 128.43 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.7 141.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -123.59 134.02 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.56 74.0 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.0 mt -98.82 152.42 37.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 164.81 33.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.5 -15.93 73.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.47 18.31 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.84 110.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.52 165.34 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.413 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 6.6 p30 -53.92 -31.09 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.07 -34.0 77.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.99 -46.03 86.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 11.7 m -69.79 -39.11 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -63.78 -47.96 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.85 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.83 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 mt -109.27 33.69 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.7 t -81.15 11.86 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.79 -20.65 12.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -113.63 178.99 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.57 106.97 15.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.56 87.86 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -59.12 -45.6 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 30.4 t80 -150.07 134.36 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.58 130.03 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 31.1 t80 -133.2 131.92 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.11 123.88 64.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -116.98 105.56 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.0 ptpp? -81.13 -24.76 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.466 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 2.0 m-85 -63.51 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -70.68 -30.15 66.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.14 28.34 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -134.53 156.95 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.092 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.67 129.09 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.546 ' CE1' HD11 ' A' ' 70' ' ' LEU . 98.1 m-85 -110.81 124.31 51.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.53 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.3 m -110.62 116.45 31.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.8 mt -94.16 175.2 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.22 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 113' ' ' GLN . 22.4 p30 -118.01 -178.83 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.36 -25.88 56.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.65 -47.97 82.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.429 ' OE1' ' CG ' ' A' ' 110' ' ' ASN . 16.0 mt-30 -62.36 -37.6 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.43 82.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.05 -45.91 90.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.45 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -67.29 -43.69 81.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.01 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.25 -47.14 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.2 m -78.12 -49.01 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.08 -27.6 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 21.0 t-80 -69.55 167.66 16.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 14.5 pt20 43.57 25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 60.0 p -95.06 174.43 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 mtm-85 -136.68 152.27 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.4 tp -149.34 121.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 52.97 47.31 24.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 57.75 51.16 9.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 140.68 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -80.13 134.43 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.57 132.68 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -109.71 120.01 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.77 138.67 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.21 163.56 39.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.83 143.04 58.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 pp -121.1 161.31 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -130.5 133.96 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.3 mt -129.03 140.9 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -130.82 133.36 45.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.6 70.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.8 mt -97.48 152.55 38.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.18 22.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.69 -6.0 75.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.15 25.17 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.55 115.82 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -119.95 161.1 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -54.21 -31.98 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -65.82 -33.98 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.29 -45.88 86.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 84' ' ' HIS . 16.3 m -69.43 -43.81 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.433 ' N ' HG23 ' A' ' 83' ' ' VAL . 13.9 m-70 -59.42 -48.0 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.87 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.95 -40.82 98.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 117' ' ' ALA . 13.5 mt -113.17 34.55 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 p -74.74 -46.46 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -38.85 -40.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.61 177.54 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.58 106.99 18.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 106' ' ' VAL . 38.5 mt -83.53 95.85 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -73.41 -29.32 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 95' ' ' CYS . 4.5 t80 -162.02 131.77 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 36.8 t -126.06 130.05 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -132.15 121.06 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.8 t -119.34 118.34 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -116.62 95.59 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 19.4 ptmt -66.82 -42.56 85.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.469 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.2 m-85 -35.6 -65.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -71.72 -31.83 67.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.7 28.94 8.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -133.59 164.21 27.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.37 136.04 43.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -124.37 123.37 40.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 92' ' ' LEU . 34.1 t -130.02 147.44 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.453 ' N ' HG13 ' A' ' 106' ' ' VAL . 88.2 m -115.47 116.21 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.69 -178.97 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.2 -69.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -116.44 -176.95 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.61 -18.83 74.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 4.4 pt-20 -65.06 -43.81 91.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 112' ' ' GLU . 20.9 mt-30 -69.36 -33.21 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.95 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.85 -46.11 91.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.58 96.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.94 -43.39 83.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.03 -39.86 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -57.11 -45.81 83.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.4 m -78.6 -49.12 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -59.55 -31.8 69.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 42.7 t60 -66.01 156.69 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.6 pt20 47.71 33.77 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.5 p -103.4 171.24 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' HD13 ' A' ' 131' ' ' LEU . 67.0 mtm180 -140.41 150.77 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.436 ' CB ' HD13 ' A' ' 131' ' ' LEU . 15.6 tp -145.29 125.65 13.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 127' ' ' ARG . 11.6 mtp-105 52.65 44.6 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 60.63 51.96 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.54 146.73 28.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 1.2 tm-20 -83.42 121.03 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.438 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 7.0 mt -101.38 132.93 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.11 135.0 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.68 130.9 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -154.56 166.63 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.45 145.15 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.12 161.82 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' A' ' 105' ' ' PHE . 8.5 tp -136.49 128.4 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.4 mt -120.62 144.97 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -133.86 138.06 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.78 67.36 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.02 152.55 37.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.45 12.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -17.08 80.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -106.83 15.49 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.67 111.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -119.09 166.03 13.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 28.7 m-80 -54.06 -31.09 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.32 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.03 -45.94 86.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 16.4 m -68.69 -39.04 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.434 ' N ' HG22 ' A' ' 83' ' ' VAL . 21.9 m-70 -63.8 -48.03 78.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -63.48 -37.04 85.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.443 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.7 tp -64.16 -41.73 97.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -111.87 36.12 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -82.98 17.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -109.46 -26.36 10.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -105.75 -179.7 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.0 109.48 18.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.3 mt -88.96 95.5 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -77.06 -31.68 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 5.9 t80 -150.08 131.97 15.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.4 p -125.82 129.8 50.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 81.3 t80 -137.51 134.44 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.6 t -134.51 118.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -116.63 101.19 8.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -70.15 -40.41 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -43.14 -65.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.31 31.43 7.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.8 p -135.27 169.31 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.19 130.19 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 96.3 m-85 -116.23 123.89 48.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 107' ' ' THR . 21.7 t -129.93 146.4 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.445 ' N ' HG11 ' A' ' 106' ' ' VAL . 15.0 m -116.36 117.01 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 114' ' ' ALA . 13.4 mt -91.27 176.24 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.411 ' HG ' ' CG ' ' A' ' 110' ' ' ASN . 51.1 tp -62.0 -71.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CG ' ' HG ' ' A' ' 109' ' ' LEU . 9.4 m-80 -115.57 -175.94 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.75 -12.55 84.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 5.3 pt-20 -68.75 -45.97 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 112' ' ' GLU . 55.3 mt-30 -69.83 -36.14 75.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.461 ' N ' HD11 ' A' ' 108' ' ' LEU . . . -63.81 -46.34 85.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -61.02 -45.81 93.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.6 98.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -67.1 -43.57 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -67.71 -39.96 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -56.83 -47.17 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 60.8 m -78.16 -48.93 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.27 -27.66 68.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 62.6 t60 -70.52 162.12 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 20.4 pt20 42.71 29.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 176.23 5.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -142.24 151.25 41.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 tp -146.56 127.06 14.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 53.66 40.91 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 62.48 53.14 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -151.64 144.95 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.9 tp10 -80.6 124.19 28.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.82 130.59 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -103.34 128.29 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.58 134.2 62.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -154.1 164.94 37.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.21 144.09 53.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.939 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.7 162.23 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.8 tp -141.04 127.43 19.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.0 mt -117.92 145.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -133.67 131.92 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.11 68.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 103' ' ' THR . 37.9 mt -92.59 152.84 42.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 165.61 30.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -14.29 72.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -112.24 22.03 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.62 117.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 t -119.77 159.0 25.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -31.14 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -66.69 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -64.58 -45.74 85.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 84' ' ' HIS . 15.8 m -69.66 -39.33 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . 0.456 ' N ' HG21 ' A' ' 83' ' ' VAL . 5.0 m-70 -64.23 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.95 -37.36 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -114.67 30.36 7.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 p -73.76 -43.79 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -41.56 -41.3 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -87.59 177.05 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -87.38 108.6 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.24 95.77 9.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -76.88 -37.74 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 15.5 t80 -138.32 131.95 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 63.1 t80 -142.07 121.14 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.0 118.34 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 29.0 t0 -116.93 96.06 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -67.97 -41.22 82.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.95 -68.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -67.39 -37.79 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.01 28.54 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.459 ' CA ' HD12 ' A' ' 74' ' ' LEU . 44.7 p -132.4 170.23 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.16 129.25 20.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.3 m-85 -111.35 124.55 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.89 132.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.3 m -106.19 118.98 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 114' ' ' ALA . 13.1 mt -86.29 179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.16 -62.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.28 177.8 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.65 -31.37 33.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.29 -44.04 88.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.29 -37.68 86.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' N ' HD13 ' A' ' 108' ' ' LEU . . . -68.01 -45.93 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.1 -46.8 88.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.62 93.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.548 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.2 -44.13 92.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.58 -39.72 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.29 -42.35 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 m -79.51 -49.12 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.7 -34.19 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 44.3 t60 -65.45 159.72 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 7.4 pt20 48.4 28.55 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 p -105.76 166.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.21 145.64 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.47 ' N ' HD11 ' A' ' 131' ' ' LEU . 22.8 tp -140.06 121.25 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 26.4 mmt180 60.4 54.65 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 127' ' ' ARG . 6.9 pt-20 47.89 42.21 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -133.6 149.96 51.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 33.4 tt0 -85.29 125.26 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 126' ' ' LEU . 8.4 mt -106.73 132.99 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -113.08 120.13 40.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 134' ' ' GLN . 48.4 t -124.08 138.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 133' ' ' VAL . 6.1 pt20 -155.36 162.27 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.77 144.75 54.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.3 158.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.496 HD12 ' CE1' ' A' ' 105' ' ' PHE . 7.9 tp -136.86 124.53 22.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.29 144.0 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -129.92 132.03 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.3 80.33 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 103' ' ' THR . 79.1 mt -106.64 151.68 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 156.75 62.47 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.75 -12.68 48.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.72 18.84 18.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.89 113.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 164.22 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -56.28 -31.08 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -66.78 -35.84 81.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -65.42 -46.04 81.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG23 ' CG2' ' A' ' 97' ' ' VAL . 28.4 m -70.03 -40.39 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.48 -48.11 81.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.3 -37.18 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.76 -41.97 98.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -114.5 30.46 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 p -72.88 -48.7 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.47 -41.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -87.54 177.11 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -87.22 109.64 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.5 mt -86.12 93.45 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -74.67 -37.94 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -137.39 132.68 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.22 129.05 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 22.9 t80 -141.98 121.38 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' HG23 ' A' ' 83' ' ' VAL . 52.2 t -122.8 117.43 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.467 ' HB2' ' CE1' ' A' ' 96' ' ' PHE . 13.8 t70 -116.7 94.03 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' TYR . 4.1 ptmm? -65.9 -45.91 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' LYS . 8.5 m-85 -35.22 -68.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -37.51 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.04 34.53 4.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.41 ' N ' HD11 ' A' ' 74' ' ' LEU . 64.5 p -135.9 168.06 20.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 111.158 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.01 129.58 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' CE1' HD12 ' A' ' 70' ' ' LEU . 98.0 m-85 -112.12 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.98 135.77 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 m -109.21 121.43 45.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.441 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.7 mt -87.46 177.59 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.1 -63.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -108.78 -174.65 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.39 -27.56 27.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.89 -40.88 85.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.441 ' CB ' HD13 ' A' ' 108' ' ' LEU . 72.2 mt-30 -66.27 -37.96 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.26 82.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.39 -46.53 89.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.68 85.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -64.59 -43.1 94.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 89.9 mt -67.02 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.33 -47.57 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.0 m -76.95 -48.96 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 11.0 m-30 -61.52 -29.02 69.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 39.3 t60 -66.87 157.28 33.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 16.5 pt20 45.27 28.87 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -96.81 171.34 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.431 ' CA ' HD11 ' A' ' 131' ' ' LEU . 80.5 mtm180 -142.02 151.68 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.401 ' CB ' HD12 ' A' ' 131' ' ' LEU . 14.2 tp -145.5 128.01 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 48.59 44.38 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 61.37 53.91 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -148.85 142.9 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.01 121.2 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 8.3 mt -100.94 131.71 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -104.8 137.66 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.57 130.97 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -155.98 161.02 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.58 142.88 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -131.4 151.98 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 tp -127.47 127.46 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.5 mt -117.3 133.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -115.24 138.1 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' ' NH2' ' A' ' 129' ' ' ARG . . . 85.73 80.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.436 HD11 ' CA ' ' A' ' 103' ' ' THR . 67.2 mt -115.28 148.3 40.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.31 60.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.82 0.01 16.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.558 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -114.96 2.86 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.76 113.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -119.83 169.37 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.64 -31.16 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.37 -46.48 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG22 ' CG2' ' A' ' 97' ' ' VAL . 31.1 m -70.27 -38.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -64.7 -48.07 76.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -61.81 -39.27 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.74 -34.14 77.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.81 33.05 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -81.07 4.68 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.72 -24.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -109.74 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.96 109.6 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' A' ' 106' ' ' VAL . 30.5 mt -90.37 90.64 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -70.84 -34.96 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -155.89 132.0 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.94 129.59 49.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -129.37 123.87 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.438 ' CG2' HG22 ' A' ' 83' ' ' VAL . 40.5 t -117.12 118.53 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.03 95.66 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -66.76 -26.97 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.72 -55.64 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.73 -14.9 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.32 20.06 79.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.436 ' CA ' HD11 ' A' ' 74' ' ' LEU . 82.4 p -135.45 160.76 37.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.09 132.2 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -117.14 127.14 53.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 69' ' ' ILE . 98.2 t -130.81 149.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.449 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.6 m -113.8 117.81 32.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.0 mt -94.07 177.0 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.87 -74.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -102.99 179.05 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.41 -20.93 68.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.49 -32.31 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.84 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.27 -44.74 90.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.9 94.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -68.2 -43.22 78.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 91.4 mt -67.77 -40.03 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.43 -45.97 76.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.2 m -80.04 -48.99 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 8.7 m-30 -61.14 -26.23 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.3 t60 -70.88 164.69 24.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLN . . . . . 0.5 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.24 33.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.4 p -97.59 178.0 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -140.16 147.69 40.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.4 tp -142.03 124.83 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 49.6 44.17 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 62.9 51.3 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.471 ' NH2' ' C ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -149.8 145.04 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -80.02 126.36 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.73 130.02 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -104.14 120.43 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.7 141.16 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.99 160.15 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.53 143.34 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 0.0 110.919 179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 p -90.11 162.85 15.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -106.14 84.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.68 -165.58 34.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -152.91 162.44 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -78.22 -47.9 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.29 146.76 2.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.439 HG22 ' CG1' ' A' ' 118' ' ' ILE . 2.7 pp -133.86 164.4 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.528 HD13 ' CE1' ' A' ' 105' ' ' PHE . 11.2 tp -138.64 123.08 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.401 ' CG2' HD22 ' A' ' 74' ' ' LEU . 75.0 mt -111.17 125.02 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.4 mtt180 -113.25 132.91 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 77.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 103' ' ' THR . 44.5 mt -109.57 152.49 42.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.553 0.692 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.43 42.09 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -11.99 64.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.04 19.88 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.03 113.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -119.89 164.41 16.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 2.1 p-10 -54.03 -35.24 61.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -62.08 -34.12 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.27 -45.95 85.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 84' ' ' HIS . 18.1 m -69.87 -39.06 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.448 ' N ' HG22 ' A' ' 83' ' ' VAL . 21.1 m-70 -61.93 -45.66 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -66.12 -37.97 87.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.498 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 67.2 tp -61.12 -41.95 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.01 35.3 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -81.11 14.38 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.34 -23.79 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.441 ' CB ' HD23 ' A' ' 108' ' ' LEU . 13.3 m-85 -109.56 177.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.49 109.34 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.38 93.27 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -72.31 -39.39 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 19.2 t80 -142.13 133.18 26.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 p -123.61 129.09 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 18.1 t80 -138.42 133.49 32.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.3 t -133.73 117.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.7 t0 -116.95 98.26 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -67.92 -41.3 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.96 -67.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -69.54 -38.8 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.68 34.8 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.463 ' N ' HD12 ' A' ' 74' ' ' LEU . 52.2 p -136.84 168.94 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.0 129.54 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.9 m-85 -112.3 124.41 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.76 135.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -111.07 115.44 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD23 ' CB ' ' A' ' 90' ' ' TYR . 8.6 mt -87.41 -179.31 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.94 -67.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -105.25 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.76 -26.91 33.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.42 -46.41 86.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -66.47 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.43 ' N ' HD12 ' A' ' 108' ' ' LEU . . . -67.85 -43.55 79.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.17 -44.78 94.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.35 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.562 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.6 -44.0 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 77.4 mt -67.96 -40.04 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -58.87 -44.83 91.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -78.17 -49.02 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.6 m-30 -61.98 -30.81 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 37.8 t60 -68.99 156.13 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 4.0 pt20 45.29 31.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.9 p -98.75 174.67 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -139.37 148.36 42.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.4 tp -145.59 116.16 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 61.15 47.48 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 58.84 54.9 4.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.468 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -152.48 151.36 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.468 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 47.6 tt0 -89.68 128.33 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mt -106.97 132.96 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 m -108.9 127.69 54.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.1 139.42 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -155.86 161.61 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.12 143.31 55.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 42.7 tt0 -57.53 139.28 81.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 53.7 Cg_endo -69.78 178.12 4.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 36.9 p -77.91 82.23 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.7 t70 68.19 31.89 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 42.58 48.62 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.13 111.67 22.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.12 112.78 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 18.0 t -129.38 153.71 47.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 65.4 m -123.11 122.73 39.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 175.38 177.76 44.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.31 67.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -82.98 -56.18 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.5 p -155.61 170.94 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.0 p -113.53 111.77 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.802 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.1 p -152.9 171.44 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.07 -64.92 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.6 m -82.6 144.96 29.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLY . 23.7 t -81.98 -43.92 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -37.34 151.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 69' ' ' ILE . 2.7 pp -122.55 160.94 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD11 ' CE1' ' A' ' 105' ' ' PHE . 10.9 tp -137.51 124.94 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.84 144.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 23.2 mtp85 -129.45 132.87 47.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' O ' ' CZ ' ' A' ' 129' ' ' ARG . . . 90.82 78.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.6 mt -114.08 149.28 41.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.936 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 168.73 20.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.13 -15.09 78.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -102.93 6.14 38.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.06 112.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -119.96 170.26 9.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.433 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 14.6 t-20 -57.19 -31.81 65.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -62.36 -34.07 75.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.19 -46.02 85.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 14.5 m -69.99 -39.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.49 -47.97 76.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.01 -37.5 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 68.1 tp -64.99 -38.63 91.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.66 34.14 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -82.36 15.21 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -108.51 -18.05 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -115.5 176.31 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.34 108.18 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.8 mt -85.59 94.55 9.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -38.34 62.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.0 t80 -141.09 134.06 29.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.51 129.76 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 48.4 t80 -141.71 128.16 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.3 t -129.48 119.93 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 10.6 t0 -116.9 102.43 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 15.3 ptmt -72.22 -39.57 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.6 m-85 -43.39 -69.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -67.54 -33.24 74.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.42 33.29 6.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.4 p -136.45 162.36 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.96 43.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.541 ' CE1' HD11 ' A' ' 70' ' ' LEU . 96.9 m-85 -115.54 124.79 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.19 138.16 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.9 m -114.04 115.39 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.419 HD11 ' N ' ' A' ' 114' ' ' ALA . 13.2 mt -86.93 179.93 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -71.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.91 -177.05 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.79 -20.41 61.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.54 -47.38 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.41 ' C ' HD11 ' A' ' 108' ' ' LEU . 79.4 mt-30 -64.71 -34.33 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.419 ' N ' HD11 ' A' ' 108' ' ' LEU . . . -66.24 -46.6 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.98 -46.05 89.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.35 97.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.54 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.37 -43.92 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.3 mt -67.27 -40.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -57.28 -46.75 82.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.9 m -77.54 -48.64 16.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.9 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.9 t60 -70.94 167.41 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.66 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 122' ' ' HIS . 24.6 p -101.35 171.5 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -136.74 148.12 47.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.5 tp -140.04 135.19 32.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 41.97 44.48 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 62.83 54.18 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -153.39 143.74 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.95 128.65 33.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mt -108.71 130.78 55.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -104.8 123.86 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.16 140.78 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.73 161.66 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.08 141.37 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 40.2 tt0 -53.93 139.33 53.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.73 143.02 49.63 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.0 t -74.32 -25.59 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.69 49.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -92.35 -40.28 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 tt -115.95 -40.49 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.6 mt 52.38 45.35 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 7.2 t -39.87 -44.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 52.6 p -67.53 128.1 35.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.2 -73.92 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 0.15 6.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.1 m -110.24 159.87 17.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.1 m -113.06 -59.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.0 p -170.27 136.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.5 t -124.99 157.75 35.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.53 99.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 t -71.34 121.19 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.5 p -68.45 -33.79 74.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.24 153.25 52.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -129.74 161.01 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.086 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD12 ' CE2' ' A' ' 105' ' ' PHE . 6.9 tp -136.66 121.51 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.78 143.08 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -126.58 133.07 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.43 ' O ' ' NH1' ' A' ' 129' ' ' ARG . . . 89.64 81.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD13 ' N ' ' A' ' 103' ' ' THR . 33.9 mt -113.27 150.28 42.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.408 ' HB3' ' CD ' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.77 164.95 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.0 -5.5 61.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.25 18.66 13.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 p -67.84 114.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.34 163.37 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -54.14 -35.31 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -60.13 -36.3 77.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.98 -44.76 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -62.51 -48.02 81.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.56 -37.4 86.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.58 -38.96 92.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 90' ' ' TYR . 14.4 mt -112.94 34.26 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -82.82 17.57 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.07 -23.74 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.404 ' CD1' HD22 ' A' ' 87' ' ' LEU . 5.7 m-85 -107.44 178.22 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.65 107.83 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.5 mt -86.36 94.35 9.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -72.03 -35.1 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.477 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 36.0 t80 -149.43 132.06 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.05 129.62 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 53.1 t80 -141.49 126.66 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 68.8 t -127.18 120.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -115.87 95.51 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -33.04 74.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.21 -54.78 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -81.1 10.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.422 ' C ' HG21 ' A' ' 103' ' ' THR . . . 51.15 30.38 23.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.422 HG21 ' C ' ' A' ' 102' ' ' GLY . 42.7 p -139.68 165.95 25.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.54 129.62 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.472 ' CE2' HD12 ' A' ' 70' ' ' LEU . 65.7 m-85 -110.29 126.7 54.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 107' ' ' THR . 65.9 t -128.89 138.26 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.441 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.6 m -108.21 113.08 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.9 mt -85.15 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.68 -67.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -120.42 -177.89 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.68 -24.63 74.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.94 -43.0 99.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -68.8 -32.48 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.23 -46.31 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.7 -46.26 90.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.8 93.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.562 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . . . -65.39 -43.03 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 75.1 mt -67.84 -40.17 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.05 -44.26 82.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.9 m -79.6 -49.0 12.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 117' ' ' ALA . 13.4 m-30 -61.81 -27.72 68.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.3 t-80 -70.15 167.38 17.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.1 pt20 43.66 25.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.4 p -93.86 170.38 9.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -142.43 145.79 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 129' ' ' ARG . 24.4 tp -139.51 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.408 ' CD ' ' HB3' ' A' ' 75' ' ' PRO . 40.0 mtp85 38.95 36.82 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 67.09 45.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -142.94 152.07 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 44.5 tt0 -84.21 123.28 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 126' ' ' LEU . 7.6 mt -100.45 130.14 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -105.1 127.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.4 135.31 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -149.61 166.85 28.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.57 144.72 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.05 136.68 53.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.15 64.22 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 35.5 m -77.09 137.43 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.6 t70 68.97 48.38 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.7 143.14 28.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 tt -172.51 121.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 18.3 mt 42.62 38.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.55 154.59 42.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.4 p -153.89 121.57 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.71 149.24 5.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 147' ' ' SER . 53.8 Cg_endo -69.74 1.67 4.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 146' ' ' PRO . 1.1 t -34.28 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.9 t -173.68 160.68 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 m -74.56 151.56 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 t 43.15 41.5 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 -176.33 51.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -99.26 175.34 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.1 t -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.32 149.03 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.48 153.14 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.517 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.7 tp -136.14 125.79 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 72.2 mt -117.4 143.61 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 72' ' ' ARG . 14.4 mtp-105 -126.5 137.15 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 86.04 81.91 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD12 ' CA ' ' A' ' 103' ' ' THR . 67.8 mt -108.51 150.12 40.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.27 3.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.93 -15.14 78.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.21 11.15 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 14.9 p -60.94 107.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 168.19 11.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -54.07 -32.38 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -64.98 -33.95 77.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.97 -45.5 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 84' ' ' HIS . 18.3 m -69.9 -41.38 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.446 ' N ' HG22 ' A' ' 83' ' ' VAL . 7.7 m-70 -62.14 -47.97 82.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.59 -32.83 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.62 -41.99 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.447 HD21 ' CB ' ' A' ' 117' ' ' ALA . 12.7 mt -113.17 36.6 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' TYR . 59.3 p -74.37 -48.07 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.8 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.72 -41.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' SER . 15.8 m-85 -89.27 177.16 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.64 107.26 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 67.3 mt -79.42 96.12 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -75.98 -38.74 57.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 10.1 t80 -138.77 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 18.1 p -122.06 128.78 51.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 59.8 t80 -141.7 121.53 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 82.8 t -123.29 117.57 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -116.73 94.72 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -66.84 -46.35 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.8 m-85 -34.37 -67.62 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -67.64 -34.21 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 29.56 7.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.468 ' CA ' HD12 ' A' ' 74' ' ' LEU . 43.7 p -137.76 169.24 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.67 135.09 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.5 m-85 -115.51 125.62 53.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.444 HG13 ' N ' ' A' ' 107' ' ' THR . 58.3 t -131.96 140.7 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.444 ' N ' HG13 ' A' ' 106' ' ' VAL . 6.6 m -111.13 115.82 30.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.18 178.62 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.31 -63.19 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -105.59 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.51 -29.92 38.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.92 -42.41 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -61.06 -38.38 86.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.86 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.2 -45.72 92.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . . . -65.26 -43.92 89.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 85.8 mt -67.88 -40.8 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.18 -45.59 83.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.3 m -77.62 -49.11 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 117' ' ' ALA . 13.7 m-30 -63.62 -23.52 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 20.4 t-80 -71.04 167.38 19.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.0 pt20 43.75 25.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p -95.66 169.31 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.94 153.03 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.458 ' CB ' HD11 ' A' ' 131' ' ' LEU . 61.6 tp -147.92 132.77 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 48.76 42.88 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 58.79 45.72 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.465 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -138.64 145.59 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.98 124.93 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 73' ' ' GLY . 10.7 mt -109.46 132.98 53.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.4 122.81 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -126.74 136.41 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.05 161.48 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.09 146.01 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -69.75 158.52 86.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.48 6.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.0 m -37.8 -58.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -125.92 106.54 9.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.55 117.59 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.8 tt -172.03 145.66 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 51.9 mt -48.49 130.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.19 39.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 45.6 m -88.98 148.13 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 128.98 82.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.4 t -122.27 157.42 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.8 m -57.9 135.09 56.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -105.33 98.59 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.7 t 56.91 41.85 27.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -158.2 101.17 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.9 m -93.79 157.82 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -105.0 76.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.24 166.67 23.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -134.18 160.04 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 tp -137.32 125.54 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.7 142.39 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -133.89 132.03 39.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.52 68.84 1.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 102' ' ' GLY . 26.8 mt -102.49 151.8 38.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 176.19 7.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.358 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -17.64 77.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.78 9.24 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.2 p -59.61 108.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -119.94 168.69 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -54.15 -33.75 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.08 -38.98 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.92 -45.0 91.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.1 t -69.99 -38.93 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.78 -46.7 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -64.64 -38.99 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.98 -38.72 79.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.04 34.55 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -80.59 11.85 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -108.35 -21.32 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -111.08 170.7 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -77.35 107.24 9.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.64 93.37 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.447 ' N ' ' HE2' ' A' ' 93' ' ' LYS . 1.4 mmpt? -69.37 -41.81 76.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -143.54 132.95 23.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.99 130.01 55.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 28.0 t80 -141.67 134.24 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 56.1 t -135.29 118.46 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 102.83 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 10.0 ptpt -73.62 -44.72 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 11.5 m-85 -36.14 -68.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -68.79 -35.46 77.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.409 ' C ' HD13 ' A' ' 74' ' ' LEU . . . 99.23 28.22 7.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.4 p -129.75 165.74 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -138.84 130.39 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.76 124.6 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.97 131.83 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -104.25 112.99 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.8 mt -85.85 -179.02 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.45 -71.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.443 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -120.36 179.19 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.97 -23.2 74.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.443 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 4.6 mp0 -58.02 -48.48 79.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -70.97 -34.12 71.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.1 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -63.51 -46.38 86.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.17 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.543 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -69.26 -44.04 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.401 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 84.7 mt -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.34 -47.83 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.8 m -78.22 -49.01 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.8 m-30 -59.13 -29.28 67.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 62.3 t60 -70.21 161.56 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.1 pt20 45.57 28.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.8 p -98.53 171.15 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -142.82 151.67 41.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.462 ' CB ' HD12 ' A' ' 131' ' ' LEU . 13.4 tp -143.67 146.77 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 126' ' ' LEU . 23.8 mmt85 36.25 40.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 63.44 53.67 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.4 146.13 28.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.464 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 38.8 tt0 -80.23 124.27 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 126' ' ' LEU . 6.7 mt -106.83 129.88 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -105.28 124.68 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.5 132.82 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -154.47 159.68 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.59 141.25 57.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -63.85 150.64 90.86 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.45 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.5 p -41.18 -61.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.83 92.81 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.51 -62.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.411 ' C ' HD11 ' A' ' 141' ' ' LEU . 0.5 OUTLIER -136.35 115.91 12.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 22.7 tp -111.74 110.26 20.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 2.1 m -153.44 135.71 14.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.7 t -111.15 -55.41 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 112.34 -95.04 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 151.57 69.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -84.0 -49.26 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.5 t -118.38 117.85 30.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.485 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.9 p -143.45 140.99 30.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -144.94 166.95 23.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.38 -132.0 10.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -148.21 -179.35 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.807 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.6 p -98.41 -33.89 10.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.47 135.76 22.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.71 159.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 tp -132.55 132.81 42.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.45 ' CG2' HD22 ' A' ' 74' ' ' LEU . 75.9 mt -108.89 145.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' HB2' ' CB ' ' A' ' 132' ' ' SER . 21.0 mmm-85 -123.28 139.96 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.89 81.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD12 ' N ' ' A' ' 103' ' ' THR . 83.8 mt -100.85 150.49 37.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.73 58.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.82 21.84 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 14.7 p -65.67 111.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.1 t -120.06 166.26 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -53.91 -32.7 54.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.27 -38.48 91.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -64.25 -44.36 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.02 -38.96 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -63.19 -47.88 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 -37.16 86.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.522 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.0 tp -60.47 -41.9 95.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.32 36.48 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -83.48 18.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.49 -26.32 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.5 -179.64 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -83.83 107.41 16.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.2 mt -87.94 94.4 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -77.71 -35.67 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -142.34 131.93 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.1 p -126.01 130.13 50.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -139.06 133.2 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.6 t -126.66 126.21 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -116.96 109.28 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.9 ptpp? -83.63 -29.96 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.422 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 m-85 -59.96 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 34.33 7.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.459 ' N ' HD12 ' A' ' 74' ' ' LEU . 74.6 p -137.92 168.58 19.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.2 130.24 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -112.48 124.12 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 107' ' ' THR . 61.2 t -132.3 136.8 55.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.413 ' N ' HG13 ' A' ' 106' ' ' VAL . 6.5 m -105.26 113.09 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 13.0 mt -83.87 -178.88 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.3 tp -81.71 -62.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -105.39 177.56 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.68 29.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.44 -42.43 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -60.52 -33.77 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.58 72.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.79 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.552 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.09 -43.48 87.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 97.0 mt -67.68 -39.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -58.47 -46.59 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -77.61 -49.12 15.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 13.0 m-30 -59.26 -35.13 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.7 t-80 -65.81 167.37 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.5 pt20 43.81 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.5 p -97.61 172.35 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.424 ' CA ' HD11 ' A' ' 131' ' ' LEU . 63.1 mtm180 -141.21 154.9 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 tp -151.89 127.32 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 55.77 37.71 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.42 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.68 146.28 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.66 122.52 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.424 HD11 ' CA ' ' A' ' 125' ' ' ARG . 7.0 mt -98.05 133.05 43.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -106.72 142.96 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.1 t -142.34 138.94 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -148.05 160.9 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.87 144.66 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -65.42 143.76 98.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.96 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 112.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.2 p -58.83 89.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 t70 69.15 47.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -40.5 -57.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 14.4 tp -86.73 156.61 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.6 mt -141.02 157.86 44.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 15.1 t -68.55 -53.02 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.4 p -45.24 165.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -160.33 -166.19 18.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 87.62 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.286 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.1 m -128.79 158.14 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.4 m -70.06 140.29 52.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -101.35 -44.15 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.79 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.3 m -155.22 129.31 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.76 110.07 3.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 m -129.16 -50.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.7 p -121.61 139.93 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.76 148.9 4.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -136.08 159.78 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 71' ' ' ILE . 2.8 tp -136.53 126.2 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.41 ' N ' HD11 ' A' ' 70' ' ' LEU . 69.0 mt -115.35 137.06 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -122.63 134.84 54.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.34 81.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 53.3 mt -119.02 152.35 51.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -173.46 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.66 -0.14 67.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -114.17 -0.98 13.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 p -57.14 108.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -117.36 170.67 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.447 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -57.18 -33.73 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -61.59 -34.0 74.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.22 -45.94 86.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 HG23 ' N ' ' A' ' 84' ' ' HIS . 16.7 m -69.98 -39.73 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.454 ' N ' HG23 ' A' ' 83' ' ' VAL . 21.2 m-70 -61.29 -47.89 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -64.73 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.4 -40.08 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -107.92 34.49 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 t -82.8 15.05 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.42 -24.22 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.45 -176.8 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -89.51 109.14 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.07 93.42 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -75.08 -36.33 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -143.57 132.03 22.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 12.1 p -123.36 129.5 51.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -141.2 121.04 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.61 120.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -116.65 95.08 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' TYR . 9.6 pttt -65.83 -47.56 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 m-85 -35.06 -68.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -28.1 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 31.45 9.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.5 p -136.84 159.46 41.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.24 132.68 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -114.81 123.14 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 107' ' ' THR . 27.6 t -125.87 141.25 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.435 ' N ' HG12 ' A' ' 106' ' ' VAL . 4.4 m -115.63 119.26 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.427 HD12 ' N ' ' A' ' 114' ' ' ALA . 18.0 mt -96.86 174.56 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.3 -72.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -103.48 -175.29 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.51 -23.44 50.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.15 -45.81 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.9 -41.35 87.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.427 ' N ' HD12 ' A' ' 108' ' ' LEU . . . -61.33 -44.29 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.19 -44.34 79.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.03 91.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.531 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -65.67 -43.7 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.418 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -66.26 -40.08 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -55.61 -46.7 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.4 m -77.51 -48.75 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.531 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 8.9 t-80 -71.1 169.25 15.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.615 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 33.89 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' HIS . 91.4 p -100.29 -179.39 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 25.4 mtm105 -141.14 152.03 44.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 31.2 tp -149.49 126.83 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 53.92 37.78 27.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 64.9 51.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.468 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -151.17 146.27 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.457 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.2 tp10 -80.75 123.68 28.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 73' ' ' GLY . 14.1 mt -106.06 132.33 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -105.46 125.52 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.3 137.25 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -155.91 161.96 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.24 141.75 57.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.72 146.24 94.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.32 21.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.1 p -63.9 -43.06 97.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -135.09 137.66 43.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -131.04 37.93 3.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.9 mt -89.87 -55.04 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.4 tt -87.99 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.27 123.63 22.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.3 p -64.8 -42.88 94.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -113.22 164.56 12.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -24.72 29.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.3 m -136.1 115.94 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 86.5 p -114.74 175.6 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -152.05 162.14 41.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -41.99 148.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.82 107.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.455 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m -150.7 150.9 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 p -82.01 179.66 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.42 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . 83.27 136.09 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.07 161.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 tp -139.86 128.81 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.4 mt -115.67 141.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.31 134.24 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.07 81.11 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.9 mt -114.09 149.66 42.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 175.41 8.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.75 -6.19 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.42 3.74 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 p -55.93 115.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -119.46 166.83 12.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 18.5 p30 -56.71 -31.78 64.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.76 -34.4 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.04 -45.52 88.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.5 m -69.98 -40.28 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.402 ' N ' HG23 ' A' ' 83' ' ' VAL . 14.7 m-70 -64.17 -46.65 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.17 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.4 tp -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.94 33.68 4.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 t -81.69 15.4 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -107.66 -23.11 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -112.44 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.99 109.84 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 106' ' ' VAL . 31.8 mt -88.24 91.64 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -70.43 -32.47 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -158.31 132.03 7.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.4 t -125.8 129.6 49.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -134.07 121.58 21.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' CG2' HG21 ' A' ' 83' ' ' VAL . 80.6 t -117.33 120.29 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -109.3 111.38 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.489 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.2 ptpp? -86.64 -14.48 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.489 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 1.7 m-85 -74.71 -58.86 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -76.72 -21.34 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.92 33.12 16.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 52.8 p -140.95 163.36 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.0 131.64 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 125.6 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG13 ' CD2' ' A' ' 92' ' ' LEU . 47.4 t -131.24 138.14 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.8 m -107.49 116.52 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.8 mt -89.15 177.51 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.13 -66.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -102.9 177.71 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.29 32.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.01 -44.02 87.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -63.09 -39.7 95.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.35 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.97 -44.1 85.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.08 99.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.535 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -68.17 -43.01 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 70.8 mt -67.7 -39.99 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.29 -47.98 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 89.1 m -78.83 -48.41 14.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.535 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.3 m-30 -61.33 -26.31 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 71.6 t60 -70.36 164.51 24.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 13.0 pt20 42.04 27.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -99.1 178.89 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -142.85 149.89 39.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 127' ' ' ARG . 48.5 tp -141.2 143.35 34.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 126' ' ' LEU . 2.0 mmp_? 36.72 42.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 64.62 54.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.455 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -154.99 145.77 22.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.8 tt0 -80.78 124.33 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.455 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 57.3 mt -102.64 131.54 49.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -107.41 121.24 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.54 141.99 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -155.08 161.33 41.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.14 142.4 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.42 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 -78.45 138.47 59.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 144.95 55.26 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.226 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 28.6 m -40.51 -38.87 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.22 116.97 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -113.64 -47.26 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.8 mt -47.26 131.63 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.6 mt -97.09 41.93 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 4.4 m -121.16 87.12 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.1 m -54.21 134.73 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.23 166.14 34.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 141.61 45.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -153.57 127.93 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 7.5 t -88.25 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -147.86 119.95 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.0 m -109.55 -56.11 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.49 -111.71 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 m 55.96 39.99 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' GLY . 23.0 t -105.12 -63.57 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -34.58 146.2 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.411 ' C ' HD11 ' A' ' 69' ' ' ILE . 2.7 pp -124.9 164.42 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.6 tp -140.0 126.9 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.6 mt -115.37 131.55 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.3 mtp180 -114.54 136.99 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.55 81.72 1.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -118.18 147.96 42.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.22 14.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.273 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.17 3.6 76.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -119.57 -0.69 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 8.8 p -51.96 116.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -119.93 166.51 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.444 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 45.0 m-80 -54.14 -33.02 56.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.18 -34.11 75.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -70.03 -40.49 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.424 ' N ' HG23 ' A' ' 83' ' ' VAL . 21.9 m-70 -63.62 -47.88 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.87 -37.42 87.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 tp -65.67 -36.11 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 mt -114.77 34.98 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -82.97 12.55 4.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.84 -24.87 12.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.46 -177.94 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.43 109.63 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.99 97.79 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -76.1 -36.85 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.1 t80 -143.13 133.12 24.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.29 126.9 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 49.4 t80 -141.48 124.84 16.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 61.1 t -121.88 117.88 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.27 96.28 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -74.93 -37.13 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -41.45 -58.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -78.37 -26.64 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 30.92 8.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.7 p -140.96 158.05 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 111.179 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.83 130.08 48.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.43 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.3 m-85 -109.93 124.41 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 107' ' ' THR . 30.8 t -132.72 139.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.401 ' N ' HG11 ' A' ' 106' ' ' VAL . 4.2 m -112.2 119.73 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 114' ' ' ALA . 15.1 mt -91.1 175.96 6.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.77 -71.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.34 -175.81 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.81 -22.58 52.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.06 -41.81 97.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -70.85 -37.36 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.423 ' N ' HD12 ' A' ' 108' ' ' LEU . . . -61.99 -46.73 87.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.0 -43.74 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -67.45 -43.87 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.9 mt -66.84 -39.97 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.37 -45.15 80.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.5 m -78.96 -48.53 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -61.87 -25.82 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 34.0 t60 -70.73 157.59 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.9 pt20 47.19 26.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.5 p -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -133.61 154.49 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.458 ' CD1' ' HG2' ' A' ' 127' ' ' ARG . 32.3 tp -150.01 134.57 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.458 ' HG2' ' CD1' ' A' ' 126' ' ' LEU . 18.4 mmt180 41.08 36.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 69.69 52.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -153.14 144.76 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.419 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 28.3 tt0 -80.15 125.08 29.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 20.5 mt -101.07 131.0 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -104.33 120.05 40.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.66 135.54 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.87 158.87 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.14 142.7 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 13.5 tt0 -45.31 139.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 53.7 Cg_endo -69.81 102.24 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.0 t -44.73 157.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t70 45.24 40.75 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.08 -45.16 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 tp -88.36 -59.57 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.84 162.92 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 3.3 t -142.62 161.37 38.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 76.7 p -131.14 160.43 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -74.43 147.0 36.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 93.46 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -52.13 -53.75 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.7 m -151.53 117.61 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -157.62 158.6 35.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.9 p -82.44 169.97 15.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -171.86 -80.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.8 m -108.58 121.75 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.1 m -79.28 -37.72 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.68 157.93 37.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 pp -128.15 164.59 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.7 tp -139.9 122.94 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.9 mt -118.44 141.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.5 mtt-85 -129.0 141.46 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.22 71.67 1.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.8 mt -106.81 151.78 40.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.918 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 179.22 3.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.88 -11.05 82.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -106.0 -1.33 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.0 p -46.18 109.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -119.75 170.52 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.425 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 10.7 p30 -56.91 -31.3 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.86 -34.35 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.98 -45.2 90.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 84' ' ' HIS . 16.7 m -69.66 -39.73 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.46 ' N ' HG23 ' A' ' 83' ' ' VAL . 19.9 m-70 -65.4 -48.07 74.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.25 -37.1 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.58 -41.99 98.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.14 36.83 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -83.18 16.42 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.35 -24.58 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -108.45 178.88 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.91 110.31 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.5 mt -91.64 93.5 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -73.38 -37.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -143.17 135.46 27.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.2 p -124.3 129.99 51.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -138.59 125.94 21.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.413 ' CG2' HG12 ' A' ' 83' ' ' VAL . 49.2 t -126.16 117.41 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.86 103.81 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 17.8 ptmt -76.13 -37.77 57.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.404 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 14.6 m-85 -42.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -67.77 -31.34 71.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.16 31.79 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.5 p -137.59 156.82 47.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.92 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -118.38 124.87 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 107' ' ' THR . 45.4 t -128.25 138.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.423 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.4 m -109.12 119.78 40.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.0 mt -93.42 177.87 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.7 -73.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -98.89 -177.17 3.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.45 -16.62 60.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.12 -46.68 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -64.61 -34.46 78.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.75 -46.59 84.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -64.31 -46.08 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.71 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.546 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.71 -43.95 82.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 86.0 mt -67.57 -40.31 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.08 -46.66 82.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 24.3 m -77.54 -48.75 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -60.31 -30.5 69.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 26.6 t-80 -70.62 168.62 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 8.6 pt20 42.29 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 122' ' ' HIS . 49.5 p -94.28 178.48 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -140.76 155.49 46.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 57.2 tp -150.86 135.12 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 39.55 41.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 65.28 53.89 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.456 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -153.22 145.97 24.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 32.3 tt0 -82.08 124.01 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.414 ' CD2' ' O ' ' A' ' 73' ' ' GLY . 40.1 mt -99.86 132.66 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -103.41 124.79 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.84 134.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.69 163.54 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.07 142.35 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -81.23 139.2 48.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 120.34 7.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.6 p -63.36 147.43 51.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 t0 39.26 46.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.08 155.93 34.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.94 -41.05 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.1 tp -155.98 130.86 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 18.2 m -83.15 109.78 17.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 47.4 t -107.14 157.03 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.64 161.54 39.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -16.22 37.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -125.68 174.34 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.6 p -115.17 9.15 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.57 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.4 p -96.14 93.94 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.9 t -52.31 107.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.12 -55.66 4.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.6 t -52.21 157.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.839 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.5 p -73.42 133.78 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.97 147.69 5.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -137.83 157.21 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.4 tp -140.66 129.66 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.5 mt -116.41 144.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 26.9 mtp85 -129.57 132.13 46.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.24 81.74 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 103' ' ' THR . 55.3 mt -109.86 149.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 174.72 9.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.94 -19.04 79.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -99.72 3.7 45.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.496 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 10.1 p -55.79 105.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -119.46 170.9 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -55.47 -32.89 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -64.04 -34.75 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.81 -46.02 83.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.444 HG23 ' N ' ' A' ' 84' ' ' HIS . 24.0 m -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.444 ' N ' HG23 ' A' ' 83' ' ' VAL . 18.6 m-70 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -60.96 -33.96 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.434 HD13 ' CE1' ' A' ' 121' ' ' PHE . 47.1 tp -71.16 -31.85 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -118.41 28.87 8.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' HIS . 1.1 m -83.21 12.14 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.04 -23.53 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.29 -174.81 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.26 108.74 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.3 mt -90.51 96.2 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -78.15 -37.37 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -141.85 132.28 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.65 128.57 48.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 1.1 t80 -141.64 120.85 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' N ' ' CD1' ' A' ' 96' ' ' PHE . 26.0 t -118.56 119.09 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 3.9 p30 -113.93 108.84 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -82.27 -34.57 28.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -49.31 -64.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -30.33 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.6 33.06 7.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.453 ' N ' HD11 ' A' ' 74' ' ' LEU . 58.2 p -137.72 171.85 13.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.18 129.65 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -115.66 124.21 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG11 ' N ' ' A' ' 107' ' ' THR . 21.5 t -132.89 142.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.434 ' N ' HG11 ' A' ' 106' ' ' VAL . 9.8 m -113.0 115.59 28.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.3 mt -87.88 176.63 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 tp -70.67 -72.13 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -104.03 179.68 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.05 -21.43 63.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -59.86 -46.95 87.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.4 -39.82 89.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.98 88.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.28 -43.34 82.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.13 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.537 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -64.66 -44.02 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 83.4 mt -66.65 -40.09 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.22 -45.82 75.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.8 m -79.63 -49.0 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.537 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 12.8 m-30 -60.23 -27.18 66.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 56.0 t60 -68.58 158.63 33.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.5 pt20 45.9 27.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.3 p -97.06 172.95 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 -140.62 149.54 42.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 129' ' ' ARG . 29.7 tp -142.13 145.84 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.7 mmt-85 38.51 38.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.7 44.84 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -144.06 146.21 32.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.449 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 9.4 tm-20 -81.18 123.68 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.413 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 12.4 mt -104.04 132.99 49.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -105.23 122.62 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.46 135.71 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -151.77 158.39 43.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.97 142.87 57.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -44.08 143.83 1.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 138' ' ' THR . 53.6 Cg_endo -69.81 96.31 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' PRO . 6.1 p -37.7 150.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 52.97 50.52 17.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.12 86.81 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.28 164.24 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.6 mt -57.03 -55.51 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 16.2 t -104.53 141.99 35.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.3 t -161.0 167.95 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.48 83.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.53 18.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.0 m -116.36 149.61 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.9 m -52.49 114.4 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m -64.37 103.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -86.8 145.78 26.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.29 124.75 3.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -143.67 112.1 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.6 p -98.32 175.39 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 133.94 6.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.23 158.86 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.154 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.544 HD12 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -140.71 123.77 16.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.4 mt -112.7 141.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.2 mtp85 -126.05 132.43 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.2 79.31 1.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' CA ' ' A' ' 103' ' ' THR . 61.3 mt -105.22 151.49 39.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 153.76 68.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -6.35 13.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -118.23 19.14 13.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.8 p -68.57 117.96 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.9 t -119.3 166.14 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -57.67 -37.37 73.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -59.22 -38.58 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -64.0 -45.34 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 98.6 t -69.99 -40.03 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CD2' ' SG ' ' A' ' 95' ' ' CYS . 6.6 m-70 -65.87 -47.71 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.21 -31.35 72.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.08 -38.98 90.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.9 mt -113.81 34.65 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -80.14 10.01 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.97 -22.96 15.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -113.23 178.21 4.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.85 107.23 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.3 mt -86.91 91.91 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.4 t80 -151.93 132.05 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' ' CD2' ' A' ' 84' ' ' HIS . 14.9 t -126.01 129.36 49.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 43.4 t80 -133.58 132.67 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.0 t -124.63 119.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.5 t0 -115.82 102.27 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -74.05 -45.69 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -37.5 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -67.78 -28.95 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 30.14 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.459 ' CA ' HD11 ' A' ' 74' ' ' LEU . 66.4 p -137.49 157.53 46.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.45 136.87 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.544 ' CE1' HD12 ' A' ' 70' ' ' LEU . 94.4 m-85 -120.86 125.2 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG11 ' N ' ' A' ' 107' ' ' THR . 31.9 t -130.93 141.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.441 ' N ' HG11 ' A' ' 106' ' ' VAL . 3.7 m -108.62 120.52 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.41 HD11 ' CB ' ' A' ' 113' ' ' GLN . 14.8 mt -95.44 175.08 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.49 -74.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -178.38 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.21 -16.07 78.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.99 -49.18 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.41 ' CB ' HD11 ' A' ' 108' ' ' LEU . 87.6 mt-30 -68.84 -33.4 73.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.16 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.12 -45.05 95.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.33 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.38 -42.94 95.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 65.0 mt -68.04 -39.98 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.69 -46.93 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -78.49 -48.82 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -60.51 -28.75 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 47.3 t60 -71.01 161.26 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 9.9 pt20 46.17 26.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.9 p -98.49 169.23 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -137.84 152.09 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.436 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.4 tp -143.7 142.58 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 38.8 38.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 65.9 49.15 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.9 146.14 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 12.4 pt-20 -79.83 125.33 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.9 mt -103.76 133.06 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 m -110.14 121.04 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.9 t -127.05 137.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.69 162.1 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.04 140.08 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -56.62 139.35 75.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 53.7 Cg_endo -69.77 110.76 2.64 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.4 m -55.28 -48.44 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 140' ' ' ALA . 1.7 m-20 -119.56 43.41 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 139' ' ' ASP . . . -34.08 -54.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tt -42.91 137.8 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.61 129.86 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 56.9 m 38.8 52.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.1 t -50.05 130.35 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.53 172.58 38.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' SER . 53.9 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' PRO . 13.7 t 35.92 43.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.4 m -89.25 140.28 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 m -100.12 -49.63 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.9 t -41.33 -50.13 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.3 142.15 3.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.3 t -98.32 140.01 33.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.2 p -86.01 -52.98 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . -47.02 160.0 0.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 pp -138.52 155.4 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 105' ' ' PHE . 9.6 tp -126.8 121.66 32.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -109.31 144.97 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -130.34 133.74 46.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.67 75.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD13 ' N ' ' A' ' 103' ' ' THR . 56.9 mt -104.01 154.39 38.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 162.82 40.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.62 -7.49 65.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.06 19.09 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 6.5 p -63.58 113.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -120.06 163.78 17.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.428 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 6.0 m120 -54.16 -31.3 52.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -66.14 -33.99 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.95 -45.16 90.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -69.37 -39.26 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -62.99 -48.04 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.61 -37.85 87.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.417 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 62.3 tp -63.49 -39.93 95.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.5 35.75 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -82.53 16.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -24.55 10.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.89 175.61 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -82.51 108.92 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.09 91.42 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -69.65 -37.58 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -143.32 131.96 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 p -126.01 126.86 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -142.03 132.85 25.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 83.1 t -124.55 117.84 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.07 94.08 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -65.51 -38.74 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -49.71 -58.41 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -83.59 22.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 38.42 35.27 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.45 ' N ' HD13 ' A' ' 74' ' ' LEU . 78.8 p -138.13 168.88 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.93 131.09 21.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 70' ' ' LEU . 99.4 m-85 -109.49 124.04 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.466 HG11 ' N ' ' A' ' 107' ' ' THR . 60.4 t -128.68 141.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.466 ' N ' HG11 ' A' ' 106' ' ' VAL . 2.6 m -116.38 117.44 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.36 -179.77 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 -70.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -107.18 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.33 -26.75 50.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.67 -46.67 86.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.61 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.4 -46.27 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.09 91.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -64.26 -43.7 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 95.5 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.33 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.8 m -79.25 -48.7 13.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 12.7 m-30 -63.66 -26.53 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 50.2 t60 -69.89 158.89 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 30.3 pt20 40.75 40.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -107.85 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -139.92 143.43 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.7 tp -139.69 119.33 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 57.58 45.56 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 60.4 48.17 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.61 147.68 32.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.5 tp10 -84.31 124.91 31.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 15.7 mt -103.8 132.85 49.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 138.57 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -140.26 130.98 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -150.84 166.35 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.39 145.74 53.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.402 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 1.5 tt0 -82.0 139.47 46.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.533 0.682 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.87 38.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.5 m -78.72 138.93 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.71 47.9 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.29 146.15 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 143' ' ' CYS . 6.3 tt -78.37 117.86 20.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 142' ' ' LEU . 10.2 mp -92.15 -53.6 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . 0.42 ' C ' HD21 ' A' ' 141' ' ' LEU . 4.6 t -100.34 106.85 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.2 p -98.18 130.53 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.74 -102.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 87.97 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.6 m -141.74 160.75 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 97.9 p -38.89 132.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -75.66 169.82 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -171.67 166.88 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.1 159.91 31.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -121.69 126.67 49.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -50.59 -179.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.38 132.04 6.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.408 ' CD1' ' C ' ' A' ' 69' ' ' ILE . 2.0 pp -139.87 164.68 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.539 HD12 ' CZ ' ' A' ' 105' ' ' PHE . 5.6 tp -138.2 125.97 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.4 mt -114.02 141.49 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -122.43 132.57 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 79.3 1.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.8 mt -106.42 150.48 39.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 156.22 63.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.16 -17.97 56.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.51 13.69 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 14.7 p -66.01 108.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -118.16 170.53 8.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -56.42 -31.03 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -65.1 -34.36 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -46.11 79.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.465 HG22 ' N ' ' A' ' 84' ' ' HIS . 27.5 m -70.0 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.465 ' N ' HG22 ' A' ' 83' ' ' VAL . 5.3 m-70 -63.55 -48.16 78.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.49 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.57 -41.51 98.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.0 mt -114.21 34.43 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -73.97 -48.44 30.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.82 -37.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.05 173.73 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -87.0 107.85 18.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 53.8 mt -79.49 94.32 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.2 mptp? -69.5 -43.04 73.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -139.48 133.02 30.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -118.53 129.83 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 11.5 t80 -142.05 121.05 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -121.82 118.22 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -117.12 100.89 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' TYR . 19.2 ptmt -74.8 -44.22 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 19.4 m-85 -37.14 -67.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.74 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.2 29.5 6.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.9 p -135.12 163.03 30.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CZ ' HD12 ' A' ' 70' ' ' LEU . 97.9 m-85 -110.55 123.47 50.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 28.2 t -132.5 132.68 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -104.08 112.94 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.6 mt -82.17 176.63 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.471 ' CD1' ' HE3' ' A' ' 93' ' ' LYS . 31.3 tp -51.36 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.418 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -136.24 -175.31 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.9 -24.81 74.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 41.6 mm-40 -60.83 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.18 -33.8 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.01 -46.12 75.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.73 -46.95 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.542 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -68.47 -42.63 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.41 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 86.4 mt -67.09 -39.89 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -55.06 -47.64 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 56.8 m -79.21 -49.06 13.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -58.53 -29.98 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 35.8 t60 -71.04 159.29 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 5.6 pt20 49.54 28.32 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.3 p -100.3 170.78 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -138.33 145.51 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.411 ' CB ' HD12 ' A' ' 131' ' ' LEU . 21.5 tp -141.89 142.35 33.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 40.61 39.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 62.2 51.75 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.37 146.93 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 14.8 tp10 -79.73 125.37 29.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.411 HD12 ' CB ' ' A' ' 126' ' ' LEU . 9.1 mt -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.03 125.93 54.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.3 t -128.88 135.65 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -151.11 165.75 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.17 139.77 40.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -54.62 151.27 15.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 133.92 26.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.4 t -45.09 -42.8 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -131.61 118.11 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -112.75 32.8 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.0 mp -137.67 -176.79 4.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.37 144.34 45.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 10.7 m -128.38 175.33 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 t -141.73 153.94 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.416 ' N ' ' HD2' ' A' ' 146' ' ' PRO . . . -52.38 -62.09 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 145' ' ' GLY . 53.0 Cg_endo -69.79 -8.91 24.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.296 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 46.3 t -39.97 114.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 59.8 p 38.9 42.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -153.61 139.56 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -100.26 -55.32 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.56 57.52 1.34 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -65.26 117.79 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.7 p -108.35 155.46 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.89 149.43 6.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.6 pp -134.61 160.09 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.546 HD11 ' CE1' ' A' ' 105' ' ' PHE . 10.5 tp -138.72 128.43 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 52.4 mt -116.7 141.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -123.59 134.02 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.56 74.0 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.0 mt -98.82 152.42 37.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 164.81 33.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.5 -15.93 73.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.47 18.31 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.84 110.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.52 165.34 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.413 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 6.6 p30 -53.92 -31.09 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.07 -34.0 77.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.99 -46.03 86.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 11.7 m -69.79 -39.11 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -63.78 -47.96 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.85 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.0 tp -62.83 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 mt -109.27 33.69 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.7 t -81.15 11.86 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.79 -20.65 12.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -113.63 178.99 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -83.57 106.97 15.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.3 mt -86.56 87.86 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -59.12 -45.6 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 30.4 t80 -150.07 134.36 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.58 130.03 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 31.1 t80 -133.2 131.92 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 90.2 t -126.11 123.88 64.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -116.98 105.56 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.0 ptpp? -81.13 -24.76 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.466 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 2.0 m-85 -63.51 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -70.68 -30.15 66.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.14 28.34 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -134.53 156.95 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.092 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.67 129.09 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.546 ' CE1' HD11 ' A' ' 70' ' ' LEU . 98.1 m-85 -110.81 124.31 51.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.53 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.3 m -110.62 116.45 31.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 11.8 mt -94.16 175.2 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.22 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 113' ' ' GLN . 22.4 p30 -118.01 -178.83 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.36 -25.88 56.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.65 -47.97 82.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.429 ' OE1' ' CG ' ' A' ' 110' ' ' ASN . 16.0 mt-30 -62.36 -37.6 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.43 82.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.05 -45.91 90.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.45 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -67.29 -43.69 81.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.01 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.25 -47.14 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.2 m -78.12 -49.01 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.08 -27.6 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 21.0 t-80 -69.55 167.66 16.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 14.5 pt20 43.57 25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 60.0 p -95.06 174.43 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 mtm-85 -136.68 152.27 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 45.4 tp -149.34 121.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 52.97 47.31 24.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 57.75 51.16 9.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 140.68 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -80.13 134.43 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.6 mt -112.57 132.68 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -109.71 120.01 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 43.0 t -123.77 138.67 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.21 163.56 39.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.83 143.04 58.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.61 151.88 69.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 133.58 25.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.5 t -54.85 -31.01 58.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -132.96 110.37 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -131.86 38.5 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.45 137.77 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 tt -84.71 110.33 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 10.8 m -144.35 178.36 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 t -154.83 160.2 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.76 173.99 32.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.05 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 95.1 p -64.7 142.19 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 149' ' ' GLY . 75.5 m -60.92 112.36 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 148' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -86.25 86.2 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.2 t -69.67 154.63 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.64 145.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' SER . 3.4 m -144.75 130.88 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' GLY . 70.7 m -36.55 -57.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -36.48 137.04 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 pp -121.1 161.31 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.1 tp -130.5 133.96 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 78.3 mt -129.03 140.9 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -130.82 133.36 45.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.6 70.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.8 mt -97.48 152.55 38.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.968 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 168.18 22.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.69 -6.0 75.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.15 25.17 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.55 115.82 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -119.95 161.1 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -54.21 -31.98 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -65.82 -33.98 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.29 -45.88 86.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 84' ' ' HIS . 16.3 m -69.43 -43.81 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.433 ' N ' HG23 ' A' ' 83' ' ' VAL . 13.9 m-70 -59.42 -48.0 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.87 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.95 -40.82 98.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.409 ' CD2' ' HB2' ' A' ' 117' ' ' ALA . 13.5 mt -113.17 34.55 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 p -74.74 -46.46 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -38.85 -40.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.61 177.54 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.58 106.99 18.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 106' ' ' VAL . 38.5 mt -83.53 95.85 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -73.41 -29.32 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 95' ' ' CYS . 4.5 t80 -162.02 131.77 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 36.8 t -126.06 130.05 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -132.15 121.06 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 94.8 t -119.34 118.34 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -116.62 95.59 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 19.4 ptmt -66.82 -42.56 85.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.469 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.2 m-85 -35.6 -65.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -71.72 -31.83 67.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.7 28.94 8.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.6 p -133.59 164.21 27.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.37 136.04 43.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -124.37 123.37 40.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.456 HG12 ' CD2' ' A' ' 92' ' ' LEU . 34.1 t -130.02 147.44 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.453 ' N ' HG13 ' A' ' 106' ' ' VAL . 88.2 m -115.47 116.21 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 12.8 mt -87.69 -178.97 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.2 -69.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -116.44 -176.95 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.61 -18.83 74.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 4.4 pt-20 -65.06 -43.81 91.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.423 ' N ' ' CG ' ' A' ' 112' ' ' GLU . 20.9 mt-30 -69.36 -33.21 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.95 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.85 -46.11 91.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.58 96.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.549 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -66.94 -43.39 83.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 86.0 mt -67.03 -39.86 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -57.11 -45.81 83.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.4 m -78.6 -49.12 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.549 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 12.9 m-30 -59.55 -31.8 69.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 42.7 t60 -66.01 156.69 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.6 pt20 47.71 33.77 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.5 p -103.4 171.24 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.411 ' C ' HD13 ' A' ' 131' ' ' LEU . 67.0 mtm180 -140.41 150.77 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.436 ' CB ' HD13 ' A' ' 131' ' ' LEU . 15.6 tp -145.29 125.65 13.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 127' ' ' ARG . 11.6 mtp-105 52.65 44.6 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 60.63 51.96 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.54 146.73 28.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.469 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 1.2 tm-20 -83.42 121.03 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.438 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 7.0 mt -101.38 132.93 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.11 135.0 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.68 130.9 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -154.56 166.63 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.45 145.15 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -53.08 151.0 9.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.36 62.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 65.8 m -50.96 -53.42 33.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.35 96.4 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.97 -54.15 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.77 116.41 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 tp -111.89 146.93 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.77 133.62 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 145' ' ' GLY . 14.2 t -103.08 -53.23 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 144' ' ' SER . . . -36.91 146.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -49.55 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.8 m -154.8 105.98 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.8 m -54.38 156.27 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -38.38 143.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -139.0 120.41 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.59 109.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.8 p -129.36 130.28 45.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -97.41 -44.52 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.94 149.54 0.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.12 161.82 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.113 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' A' ' 105' ' ' PHE . 8.5 tp -136.49 128.4 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.4 mt -120.62 144.97 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -133.86 138.06 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.78 67.36 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.02 152.55 37.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.45 12.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -17.08 80.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -106.83 15.49 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.67 111.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -119.09 166.03 13.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 28.7 m-80 -54.06 -31.09 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.32 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.03 -45.94 86.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 16.4 m -68.69 -39.04 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.434 ' N ' HG22 ' A' ' 83' ' ' VAL . 21.9 m-70 -63.8 -48.03 78.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -63.48 -37.04 85.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.7 tp -64.16 -41.73 97.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -111.87 36.12 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -82.98 17.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -109.46 -26.36 10.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -105.75 -179.7 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.0 109.48 18.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.3 mt -88.96 95.5 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -77.06 -31.68 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.429 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 5.9 t80 -150.08 131.97 15.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.4 p -125.82 129.8 50.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.429 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 81.3 t80 -137.51 134.44 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 79.6 t -134.51 118.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -116.63 101.19 8.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -70.15 -40.41 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -43.14 -65.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.31 31.43 7.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.8 p -135.27 169.31 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.19 130.19 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 70' ' ' LEU . 96.3 m-85 -116.23 123.89 48.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.445 HG11 ' N ' ' A' ' 107' ' ' THR . 21.7 t -129.93 146.4 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.445 ' N ' HG11 ' A' ' 106' ' ' VAL . 15.0 m -116.36 117.01 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 114' ' ' ALA . 13.4 mt -91.27 176.24 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.411 ' HG ' ' CG ' ' A' ' 110' ' ' ASN . 51.1 tp -62.0 -71.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' CG ' ' HG ' ' A' ' 109' ' ' LEU . 9.4 m-80 -115.57 -175.94 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.75 -12.55 84.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 5.3 pt-20 -68.75 -45.97 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 112' ' ' GLU . 55.3 mt-30 -69.83 -36.14 75.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.461 ' N ' HD11 ' A' ' 108' ' ' LEU . . . -63.81 -46.34 85.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -61.02 -45.81 93.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.6 98.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.549 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -67.1 -43.57 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -67.71 -39.96 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -56.83 -47.17 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 60.8 m -78.16 -48.93 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.27 -27.66 68.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 62.6 t60 -70.52 162.12 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 20.4 pt20 42.71 29.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 176.23 5.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 26.3 mtm105 -142.24 151.25 41.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 tp -146.56 127.06 14.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 53.66 40.91 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 62.48 53.14 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -151.64 144.95 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.435 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.9 tp10 -80.6 124.19 28.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mt -103.82 130.59 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -103.34 128.29 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.58 134.2 62.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -154.1 164.94 37.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.21 144.09 53.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -88.5 139.08 29.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 132.1 22.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 27.5 m -65.8 138.9 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 40.61 41.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -37.14 -48.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.69 170.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 tp -122.87 109.58 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 50.2 t -46.5 149.08 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.5 t -63.87 127.92 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 111.0 66.02 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.7 t -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 63.7 m -128.24 42.12 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.6 m -77.05 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.2 p -149.21 168.13 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.77 -52.37 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 p -60.05 147.75 38.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -41.58 152.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.15 145.15 4.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -137.7 162.23 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.8 tp -141.04 127.43 19.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.0 mt -117.92 145.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -133.67 131.92 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.11 68.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD12 ' CA ' ' A' ' 103' ' ' THR . 37.9 mt -92.59 152.84 42.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 165.61 30.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -14.29 72.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -112.24 22.03 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.62 117.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 t -119.77 159.0 25.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -54.03 -31.14 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -66.69 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -64.58 -45.74 85.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.456 HG21 ' N ' ' A' ' 84' ' ' HIS . 15.8 m -69.66 -39.33 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.456 ' N ' HG21 ' A' ' 83' ' ' VAL . 5.0 m-70 -64.23 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.95 -37.36 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -114.67 30.36 7.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 p -73.76 -43.79 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -41.56 -41.3 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -87.59 177.05 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -87.38 108.6 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 64.4 mt -85.24 95.77 9.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -76.88 -37.74 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 15.5 t80 -138.32 131.95 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 63.1 t80 -142.07 121.14 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.0 118.34 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 29.0 t0 -116.93 96.06 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -67.97 -41.22 82.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.95 -68.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -67.39 -37.79 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.01 28.54 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.459 ' CA ' HD12 ' A' ' 74' ' ' LEU . 44.7 p -132.4 170.23 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.16 129.25 20.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.3 m-85 -111.35 124.55 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.89 132.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.3 m -106.19 118.98 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.462 HD13 ' N ' ' A' ' 114' ' ' ALA . 13.1 mt -86.29 179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.16 -62.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.28 177.8 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.65 -31.37 33.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.29 -44.04 88.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -62.29 -37.68 86.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' N ' HD13 ' A' ' 108' ' ' LEU . . . -68.01 -45.93 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.1 -46.8 88.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.62 93.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.548 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.2 -44.13 92.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.58 -39.72 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.29 -42.35 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 m -79.51 -49.12 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.7 -34.19 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 44.3 t60 -65.45 159.72 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 7.4 pt20 48.4 28.55 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 p -105.76 166.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -139.21 145.64 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.47 ' N ' HD11 ' A' ' 131' ' ' LEU . 22.8 tp -140.06 121.25 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 26.4 mmt180 60.4 54.65 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 127' ' ' ARG . 6.9 pt-20 47.89 42.21 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.47 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -133.6 149.96 51.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 33.4 tt0 -85.29 125.26 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 126' ' ' LEU . 8.4 mt -106.73 132.99 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -113.08 120.13 40.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 134' ' ' GLN . 48.4 t -124.08 138.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.412 ' N ' HG11 ' A' ' 133' ' ' VAL . 6.1 pt20 -155.36 162.27 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.3 mt -61.77 144.75 54.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 139.68 67.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.465 ' CG ' ' HB1' ' A' ' 140' ' ' ALA . 53.8 Cg_endo -69.75 157.64 59.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.34 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 28.3 m -97.62 -45.01 6.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -119.16 41.21 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.465 ' HB1' ' CG ' ' A' ' 137' ' ' PRO . . . -44.78 -50.63 10.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 mt -47.0 121.82 3.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.21 105.57 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 20.0 p -156.21 137.03 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 62.9 p -68.99 147.87 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 157.01 79.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.07 36.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.6 t -132.85 89.44 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.8 t -74.29 92.57 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p 41.1 42.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -139.16 157.7 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.26 58.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -118.73 38.92 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.8 p -57.63 -12.75 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.34 153.88 52.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.3 158.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 111.116 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.496 HD12 ' CE1' ' A' ' 105' ' ' PHE . 7.9 tp -136.86 124.53 22.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.29 144.0 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.1 mtp85 -129.92 132.03 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.3 80.33 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 103' ' ' THR . 79.1 mt -106.64 151.68 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 156.75 62.47 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.75 -12.68 48.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.72 18.84 18.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.89 113.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 164.22 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -56.28 -31.08 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -66.78 -35.84 81.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -65.42 -46.04 81.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG23 ' CG2' ' A' ' 97' ' ' VAL . 28.4 m -70.03 -40.39 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.48 -48.11 81.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.3 -37.18 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.76 -41.97 98.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -114.5 30.46 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 p -72.88 -48.7 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.47 -41.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -87.54 177.11 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -87.22 109.64 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 60.5 mt -86.12 93.45 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -74.67 -37.94 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -137.39 132.68 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.22 129.05 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 22.9 t80 -141.98 121.38 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' HG23 ' A' ' 83' ' ' VAL . 52.2 t -122.8 117.43 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.467 ' HB2' ' CE1' ' A' ' 96' ' ' PHE . 13.8 t70 -116.7 94.03 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 100' ' ' TYR . 4.1 ptmm? -65.9 -45.91 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 99' ' ' LYS . 8.5 m-85 -35.22 -68.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -37.51 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.04 34.53 4.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.41 ' N ' HD11 ' A' ' 74' ' ' LEU . 64.5 p -135.9 168.06 20.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 111.158 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.01 129.58 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' CE1' HD12 ' A' ' 70' ' ' LEU . 98.0 m-85 -112.12 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.98 135.77 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 m -109.21 121.43 45.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.441 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.7 mt -87.46 177.59 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.1 -63.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -108.78 -174.65 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.39 -27.56 27.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.89 -40.88 85.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.441 ' CB ' HD13 ' A' ' 108' ' ' LEU . 72.2 mt-30 -66.27 -37.96 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.26 82.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.39 -46.53 89.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.68 85.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -64.59 -43.1 94.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 89.9 mt -67.02 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.33 -47.57 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.0 m -76.95 -48.96 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 117' ' ' ALA . 11.0 m-30 -61.52 -29.02 69.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 39.3 t60 -66.87 157.28 33.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 16.5 pt20 45.27 28.87 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -96.81 171.34 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.431 ' CA ' HD11 ' A' ' 131' ' ' LEU . 80.5 mtm180 -142.02 151.68 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.401 ' CB ' HD12 ' A' ' 131' ' ' LEU . 14.2 tp -145.5 128.01 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 48.59 44.38 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 61.37 53.91 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.434 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -148.85 142.9 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.01 121.2 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 129' ' ' ARG . 8.3 mt -100.94 131.71 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -104.8 137.66 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.57 130.97 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -155.98 161.02 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.58 142.88 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -45.85 141.73 4.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 124.71 11.37 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -46.06 144.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.14 43.45 30.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.64 -44.35 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -89.07 149.77 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.31 -41.56 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 11.5 t -62.37 86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 18.3 m -130.18 125.87 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.21 144.79 36.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 87.09 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.209 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.1 p -164.15 153.45 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.1 t -81.94 153.63 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 p -70.29 171.8 9.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -86.49 96.4 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.85 142.0 27.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 m -131.86 179.87 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.4 p -55.93 169.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.95 131.39 4.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CD1' ' HB ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -131.4 151.98 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.9 tp -127.47 127.46 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 51.5 mt -117.3 133.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -115.24 138.1 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' ' NH2' ' A' ' 129' ' ' ARG . . . 85.73 80.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 HD11 ' CA ' ' A' ' 103' ' ' THR . 67.2 mt -115.28 148.3 40.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.31 60.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.82 0.01 16.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.558 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -114.96 2.86 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.76 113.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -119.83 169.37 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -55.64 -31.16 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.37 -46.48 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG22 ' CG2' ' A' ' 97' ' ' VAL . 31.1 m -70.27 -38.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -64.7 -48.07 76.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -61.81 -39.27 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.74 -34.14 77.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.81 33.05 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -81.07 4.68 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.72 -24.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -109.74 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.96 109.6 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' A' ' 106' ' ' VAL . 30.5 mt -90.37 90.64 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -70.84 -34.96 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -155.89 132.0 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.94 129.59 49.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -129.37 123.87 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.438 ' CG2' HG22 ' A' ' 83' ' ' VAL . 40.5 t -117.12 118.53 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.03 95.66 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -66.76 -26.97 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.72 -55.64 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -72.73 -14.9 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.32 20.06 79.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.436 ' CA ' HD11 ' A' ' 74' ' ' LEU . 82.4 p -135.45 160.76 37.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.09 132.2 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -117.14 127.14 53.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.455 ' HB ' ' CD1' ' A' ' 69' ' ' ILE . 98.2 t -130.81 149.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.449 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.6 m -113.8 117.81 32.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.0 mt -94.07 177.0 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.87 -74.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -102.99 179.05 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.41 -20.93 68.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -65.49 -32.31 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.84 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.27 -44.74 90.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.9 94.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.537 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -68.2 -43.22 78.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 91.4 mt -67.77 -40.03 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.43 -45.97 76.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.2 m -80.04 -48.99 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.537 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 8.7 m-30 -61.14 -26.23 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.3 t60 -70.88 164.69 24.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.5 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.24 33.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.4 p -97.59 178.0 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -140.16 147.69 40.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.4 tp -142.03 124.83 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 49.6 44.17 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 62.9 51.3 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.471 ' NH2' ' C ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -149.8 145.04 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -80.02 126.36 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.7 mt -105.73 130.02 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -104.14 120.43 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.7 141.16 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.99 160.15 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.53 143.34 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -86.72 139.04 33.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 138' ' ' THR . 53.4 Cg_endo -69.8 105.16 1.44 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 137' ' ' PRO . 66.8 p -36.96 -64.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -80.68 -52.51 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 69.84 28.81 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 tp -96.41 -50.93 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 59.0 mt -122.36 148.56 44.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 30.8 p -120.69 44.42 2.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.4 m -136.51 121.84 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 161.43 146.51 4.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 147.48 62.71 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.26 . . . . 0.0 112.289 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.7 m -108.35 -60.4 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.9 p -121.85 112.42 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.43 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.772 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -133.86 164.4 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 105' ' ' PHE . 11.2 tp -138.64 123.08 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.0 mt -111.17 125.02 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 103' ' ' THR . 22.4 mtt180 -113.25 132.91 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 77.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD11 ' C ' ' A' ' 103' ' ' THR . 44.5 mt -109.57 152.49 42.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.553 0.692 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.43 42.09 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -11.99 64.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.04 19.88 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 78' ' ' VAL . 9.6 p -67.03 113.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -119.89 164.41 16.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 p-10 -54.03 -35.24 61.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -62.08 -34.12 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.27 -45.95 85.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.1 m -69.87 -39.06 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -61.93 -45.66 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -66.12 -37.97 87.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 67.2 tp -61.12 -41.95 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.1 mt -109.01 35.3 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -81.11 14.38 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.34 -23.79 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.489 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.3 m-85 -109.56 177.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -84.49 109.34 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.38 93.27 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -72.31 -39.39 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 19.2 t80 -142.13 133.18 26.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 p -123.61 129.09 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 18.1 t80 -138.42 133.49 32.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 77.3 t -133.73 117.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.7 t0 -116.95 98.26 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -67.92 -41.3 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.96 -67.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -69.54 -38.8 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.68 34.8 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.531 ' C ' HD11 ' A' ' 74' ' ' LEU . 52.2 p -136.84 168.94 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.0 129.54 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.9 m-85 -112.3 124.41 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.76 135.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -111.07 115.44 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 91' ' ' GLU . 8.6 mt -87.41 -179.31 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.94 -67.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -105.25 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.76 -26.91 33.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.42 -46.41 86.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.48 ' C ' HD13 ' A' ' 108' ' ' LEU . 40.0 mt-30 -66.47 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.85 -43.55 79.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.17 -44.78 94.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.35 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.6 -44.0 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 69' ' ' ILE . 77.4 mt -67.96 -40.04 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -58.87 -44.83 91.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -78.17 -49.02 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.6 m-30 -61.98 -30.81 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 37.8 t60 -68.99 156.13 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 4.0 pt20 45.29 31.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.9 p -98.75 174.67 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -139.37 148.36 42.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.445 ' CB ' HD11 ' A' ' 131' ' ' LEU . 11.4 tp -145.59 116.16 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 61.15 47.48 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 58.84 54.9 4.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -152.48 151.36 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 47.6 tt0 -89.68 128.33 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.5 mt -106.97 132.96 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 m -108.9 127.69 54.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.1 139.42 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -155.86 161.61 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.12 143.31 55.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -122.55 160.94 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.9 tp -137.51 124.94 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.84 144.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HA ' HG22 ' A' ' 103' ' ' THR . 23.2 mtp85 -129.45 132.87 47.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' O ' ' CZ ' ' A' ' 129' ' ' ARG . . . 90.82 78.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 78' ' ' VAL . 59.6 mt -114.08 149.28 41.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.75 168.73 20.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.13 -15.09 78.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -102.93 6.14 38.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 75' ' ' PRO . 7.2 p -59.06 112.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -119.96 170.26 9.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.501 ' HA ' HG21 ' A' ' 97' ' ' VAL . 14.6 t-20 -57.19 -31.81 65.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -62.36 -34.07 75.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.19 -46.02 85.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 80' ' ' ASN . 14.5 m -69.99 -39.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.49 -47.97 76.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.01 -37.5 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 68.1 tp -64.99 -38.63 91.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.66 34.14 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -82.36 15.21 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -108.51 -18.05 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.5 ' HB2' HD21 ' A' ' 108' ' ' LEU . 15.8 m-85 -115.5 176.31 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.34 108.18 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.8 mt -85.59 94.55 9.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -38.34 62.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.0 t80 -141.09 134.06 29.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.51 129.76 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 48.4 t80 -141.71 128.16 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 80' ' ' ASN . 43.3 t -129.48 119.93 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 10.6 t0 -116.9 102.43 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 15.3 ptmt -72.22 -39.57 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.456 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.6 m-85 -43.39 -69.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -67.54 -33.24 74.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.42 33.29 6.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 72' ' ' ARG . 65.4 p -136.45 162.36 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.96 43.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 70' ' ' LEU . 96.9 m-85 -115.54 124.79 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.19 138.16 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.9 m -114.04 115.39 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.73 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.2 mt -86.93 179.93 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -71.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.91 -177.05 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.79 -20.41 61.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.54 -47.38 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.73 ' OE1' HD22 ' A' ' 108' ' ' LEU . 79.4 mt-30 -64.71 -34.33 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.24 -46.6 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.98 -46.05 89.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.35 97.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.37 -43.92 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.3 mt -67.27 -40.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -57.28 -46.75 82.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.9 m -77.54 -48.64 16.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.9 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.9 t60 -70.94 167.41 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 3.0 pp0? 34.66 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 122' ' ' HIS . 24.6 p -101.35 171.5 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -136.74 148.12 47.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.656 ' CB ' HD11 ' A' ' 131' ' ' LEU . 14.5 tp -140.04 135.19 32.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 41.97 44.48 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 62.83 54.18 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -153.39 143.74 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.95 128.65 33.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.4 mt -108.71 130.78 55.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -104.8 123.86 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.16 140.78 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.73 161.66 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 118' ' ' ILE . 33.3 mt -65.08 141.37 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.909 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.523 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -129.74 161.01 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 105' ' ' PHE . 6.9 tp -136.66 121.51 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.78 143.08 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -126.58 133.07 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.43 ' O ' ' NH1' ' A' ' 129' ' ' ARG . . . 89.64 81.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.9 mt -113.27 150.28 42.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.77 164.95 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.0 -5.5 61.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.25 18.66 13.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 78' ' ' VAL . 13.5 p -67.84 114.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.34 163.37 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.505 ' HA ' HG21 ' A' ' 97' ' ' VAL . 4.0 p-10 -54.14 -35.31 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -60.13 -36.3 77.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.98 -44.76 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' ND1' HD13 ' A' ' 92' ' ' LEU . 20.8 m-70 -62.51 -48.02 81.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.56 -37.4 86.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.58 -38.96 92.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 117' ' ' ALA . 14.4 mt -112.94 34.26 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -82.82 17.57 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.07 -23.74 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.44 178.22 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.65 107.83 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.408 HD13 ' ND1' ' A' ' 84' ' ' HIS . 44.5 mt -86.36 94.35 9.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -72.03 -35.1 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 36.0 t80 -149.43 132.06 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.05 129.62 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 53.1 t80 -141.49 126.66 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 80' ' ' ASN . 68.8 t -127.18 120.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -115.87 95.51 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -33.04 74.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.21 -54.78 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.712 ' O ' HG23 ' A' ' 103' ' ' THR . 22.6 mmtp -81.1 10.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.38 23.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 101' ' ' LYS . 42.7 p -139.68 165.95 25.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.54 129.62 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 70' ' ' LEU . 65.7 m-85 -110.29 126.7 54.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.89 138.26 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.6 m -108.21 113.08 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.486 HD22 ' OE1' ' A' ' 113' ' ' GLN . 12.9 mt -85.15 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.68 -67.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -120.42 -177.89 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.68 -24.63 74.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.94 -43.0 99.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.486 ' OE1' HD22 ' A' ' 108' ' ' LEU . 84.6 mt-30 -68.8 -32.48 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.23 -46.31 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.7 -46.26 90.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.8 93.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.776 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.39 -43.03 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 75.1 mt -67.84 -40.17 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.05 -44.26 82.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.9 m -79.6 -49.0 12.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.776 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.4 m-30 -61.81 -27.72 68.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.3 t-80 -70.15 167.38 17.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.1 pt20 43.66 25.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.4 p -93.86 170.38 9.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -142.43 145.79 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 131' ' ' LEU . 24.4 tp -139.51 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.432 ' CD ' ' HB3' ' A' ' 75' ' ' PRO . 40.0 mtp85 38.95 36.82 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 67.09 45.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -142.94 152.07 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 44.5 tt0 -84.21 123.28 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.6 mt -100.45 130.14 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -105.1 127.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.4 135.31 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -149.61 166.85 28.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.57 144.72 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -134.48 153.14 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.7 tp -136.14 125.79 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.2 mt -117.4 143.61 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.4 mtp-105 -126.5 137.15 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 86.04 81.91 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 78' ' ' VAL . 67.8 mt -108.51 150.12 40.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.27 3.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.93 -15.14 78.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.21 11.15 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.9 p -60.94 107.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 168.19 11.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.486 ' HA ' HG21 ' A' ' 97' ' ' VAL . 13.8 m-80 -54.07 -32.38 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -64.98 -33.95 77.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.97 -45.5 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.3 m -69.9 -41.38 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.7 m-70 -62.14 -47.97 82.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.59 -32.83 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.62 -41.99 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 117' ' ' ALA . 12.7 mt -113.17 36.6 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' TYR . 59.3 p -74.37 -48.07 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.8 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.72 -41.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' SER . 15.8 m-85 -89.27 177.16 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.64 107.26 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 84' ' ' HIS . 67.3 mt -79.42 96.12 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -75.98 -38.74 57.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 10.1 t80 -138.77 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 18.1 p -122.06 128.78 51.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 59.8 t80 -141.7 121.53 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 80' ' ' ASN . 82.8 t -123.29 117.57 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -116.73 94.72 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -66.84 -46.35 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.8 m-85 -34.37 -67.62 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -67.64 -34.21 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 29.56 7.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 72' ' ' ARG . 43.7 p -137.76 169.24 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.67 135.09 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.5 m-85 -115.51 125.62 53.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.96 140.7 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -111.13 115.82 30.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.6 mt -84.18 178.62 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.31 -63.19 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -105.59 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.51 -29.92 38.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.92 -42.41 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.663 ' CB ' HD13 ' A' ' 108' ' ' LEU . 77.1 mt-30 -61.06 -38.38 86.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.11 -46.86 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.2 -45.72 92.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.718 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.26 -43.92 89.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 85.8 mt -67.88 -40.8 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.18 -45.59 83.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.3 m -77.62 -49.11 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.718 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.7 m-30 -63.62 -23.52 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 20.4 t-80 -71.04 167.38 19.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.0 pt20 43.75 25.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p -95.66 169.31 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.94 153.03 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 131' ' ' LEU . 61.6 tp -147.92 132.77 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 48.76 42.88 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 58.79 45.72 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -138.64 145.59 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.98 124.93 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.634 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.7 mt -109.46 132.98 53.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.4 122.81 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -126.74 136.41 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.05 161.48 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.09 146.01 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.502 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -134.18 160.04 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' A' ' 105' ' ' PHE . 6.7 tp -137.32 125.54 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.7 mt -114.7 142.39 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HA ' HG22 ' A' ' 103' ' ' THR . 46.6 mtt180 -133.89 132.03 39.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.52 68.84 1.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 HG21 ' A' ' 71' ' ' ILE . 26.8 mt -102.49 151.8 38.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.75 176.19 7.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -17.64 77.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.78 9.24 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 78' ' ' VAL . 10.2 p -59.61 108.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -119.94 168.69 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HA ' HG21 ' A' ' 97' ' ' VAL . 34.3 t30 -54.15 -33.75 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.08 -38.98 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.92 -45.0 91.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.586 HG21 HG22 ' A' ' 97' ' ' VAL . 87.1 t -69.99 -38.93 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.78 -46.7 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -64.64 -38.99 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.98 -38.72 79.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.04 34.55 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -80.59 11.85 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -108.35 -21.32 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -111.08 170.7 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -77.35 107.24 9.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.64 93.37 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 93' ' ' LYS . 1.4 mmpt? -69.37 -41.81 76.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -143.54 132.95 23.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.99 130.01 55.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 28.0 t80 -141.67 134.24 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.586 HG22 HG21 ' A' ' 83' ' ' VAL . 56.1 t -135.29 118.46 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 102.83 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 10.0 ptpt -73.62 -44.72 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 11.5 m-85 -36.14 -68.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -68.79 -35.46 77.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 28.22 7.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 72' ' ' ARG . 59.4 p -129.75 165.74 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -138.84 130.39 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -116.76 124.6 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.97 131.83 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -104.25 112.99 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -85.85 -179.02 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.45 -71.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.36 179.19 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.97 -23.2 74.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -58.02 -48.48 79.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.422 ' CB ' HD13 ' A' ' 108' ' ' LEU . 63.4 mt-30 -70.97 -34.12 71.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.1 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -63.51 -46.38 86.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.17 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -69.26 -44.04 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.502 HD11 HG22 ' A' ' 69' ' ' ILE . 84.7 mt -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.34 -47.83 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.8 m -78.22 -49.01 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -59.13 -29.28 67.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 62.3 t60 -70.21 161.56 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.1 pt20 45.57 28.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.8 p -98.53 171.15 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -142.82 151.67 41.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.468 ' CB ' HD11 ' A' ' 131' ' ' LEU . 13.4 tp -143.67 146.77 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 126' ' ' LEU . 23.8 mmt85 36.25 40.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 63.44 53.67 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.4 146.13 28.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 38.8 tt0 -80.23 124.27 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 126' ' ' LEU . 6.7 mt -106.83 129.88 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -105.28 124.68 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.5 132.82 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -154.47 159.68 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.59 141.25 57.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.415 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -117.71 159.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 12.3 tp -132.55 132.81 42.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -108.89 145.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.568 ' HA ' HG22 ' A' ' 103' ' ' THR . 21.0 mmm-85 -123.28 139.96 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.89 81.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.582 HD11 ' C ' ' A' ' 103' ' ' THR . 83.8 mt -100.85 150.49 37.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.73 58.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.82 21.84 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.7 p -65.67 111.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 81' ' ' GLN . 13.1 t -120.06 166.26 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.1 m-20 -53.91 -32.7 54.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 79' ' ' THR . 15.1 tp60 -63.27 -38.48 91.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -64.25 -44.36 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 97' ' ' VAL . 93.1 t -70.02 -38.96 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -63.19 -47.88 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 -37.16 86.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.0 tp -60.47 -41.9 95.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.32 36.48 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -83.48 18.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.49 -26.32 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.5 -179.64 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -83.83 107.41 16.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 106' ' ' VAL . 42.2 mt -87.94 94.4 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -77.71 -35.67 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -142.34 131.93 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.1 p -126.01 130.13 50.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -139.06 133.2 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 83' ' ' VAL . 83.6 t -126.66 126.21 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -116.96 109.28 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.9 ptpp? -83.63 -29.96 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 m-85 -59.96 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 34.33 7.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.582 ' C ' HD11 ' A' ' 74' ' ' LEU . 74.6 p -137.92 168.58 19.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.2 130.24 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.762 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 87.1 m-85 -112.48 124.12 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 92' ' ' LEU . 61.2 t -132.3 136.8 55.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -105.26 113.09 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.0 mt -83.87 -178.88 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.3 tp -81.71 -62.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -105.39 177.56 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.68 29.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.44 -42.43 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.575 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.0 mt-30 -60.52 -33.77 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.58 72.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.79 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.09 -43.48 87.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 135' ' ' LEU . 97.0 mt -67.68 -39.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -58.47 -46.59 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -77.61 -49.12 15.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.636 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.0 m-30 -59.26 -35.13 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.7 t-80 -65.81 167.37 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.5 pt20 43.81 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.5 p -97.61 172.35 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -141.21 154.9 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 131' ' ' LEU . 10.9 tp -151.89 127.32 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 55.77 37.71 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.42 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD2' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -149.68 146.28 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.66 122.52 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 126' ' ' LEU . 7.0 mt -98.05 133.05 43.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -106.72 142.96 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.1 t -142.34 138.94 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.1 pm0 -148.05 160.9 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 118' ' ' ILE . 44.5 mt -66.87 144.66 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.96 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.844 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -136.08 159.78 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 71' ' ' ILE . 2.8 tp -136.53 126.2 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 70' ' ' LEU . 69.0 mt -115.35 137.06 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.529 ' HA ' HG22 ' A' ' 103' ' ' THR . 40.8 mtp180 -122.63 134.84 54.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.34 81.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 HG21 ' A' ' 71' ' ' ILE . 53.3 mt -119.02 152.35 51.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -173.46 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.66 -0.14 67.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -114.17 -0.98 13.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 78' ' ' VAL . 12.5 p -57.14 108.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -117.36 170.67 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 83' ' ' VAL . 1.1 p30 -57.18 -33.73 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -61.59 -34.0 74.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.22 -45.94 86.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.7 m -69.98 -39.73 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.29 -47.89 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -64.73 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.4 -40.08 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -107.92 34.49 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 t -82.8 15.05 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.42 -24.22 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.45 -176.8 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 108' ' ' LEU . 7.0 mm-40 -89.51 109.14 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.07 93.42 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -75.08 -36.33 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 55.0 t80 -143.57 132.03 22.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 12.1 p -123.36 129.5 51.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -141.2 121.04 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 80' ' ' ASN . 95.7 t -125.61 120.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -116.65 95.08 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' TYR . 9.6 pttt -65.83 -47.56 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 m-85 -35.06 -68.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -28.1 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 31.45 9.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.529 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.5 p -136.84 159.46 41.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.24 132.68 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 70' ' ' LEU . 86.1 m-85 -114.81 123.14 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.6 t -125.87 141.25 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -115.63 119.26 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.531 HD13 ' CB ' ' A' ' 113' ' ' GLN . 18.0 mt -96.86 174.56 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.3 -72.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -103.48 -175.29 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.51 -23.44 50.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.15 -45.81 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.531 ' CB ' HD13 ' A' ' 108' ' ' LEU . 66.8 mt-30 -66.9 -41.35 87.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.33 -44.29 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.19 -44.34 79.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.03 91.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.903 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.67 -43.7 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.844 HD11 HG22 ' A' ' 69' ' ' ILE . 78.5 mt -66.26 -40.08 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -55.61 -46.7 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.4 m -77.51 -48.75 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.903 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.8 m-30 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 8.9 t-80 -71.1 169.25 15.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.615 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 4.7 pp0? 33.89 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' HIS . 91.4 p -100.29 -179.39 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 25.4 mtm105 -141.14 152.03 44.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.868 ' CB ' HD11 ' A' ' 131' ' ' LEU . 31.2 tp -149.49 126.83 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 53.92 37.78 27.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 64.9 51.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -151.17 146.27 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.2 tp10 -80.75 123.68 28.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.868 HD11 ' CB ' ' A' ' 126' ' ' LEU . 14.1 mt -106.06 132.33 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -105.46 125.52 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.3 137.25 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -155.91 161.96 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.24 141.75 57.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.616 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -131.07 161.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.3 tp -139.86 128.81 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 70' ' ' LEU . 47.4 mt -115.67 141.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.484 ' HA ' HG22 ' A' ' 103' ' ' THR . 34.0 mtp180 -125.31 134.24 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.405 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 90.07 81.11 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.9 mt -114.09 149.66 42.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.492 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.77 175.41 8.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.75 -6.19 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.42 3.74 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 78' ' ' VAL . 7.5 p -55.93 115.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -119.46 166.83 12.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.49 ' HA ' HG21 ' A' ' 97' ' ' VAL . 18.5 p30 -56.71 -31.78 64.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.76 -34.4 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.04 -45.52 88.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.5 m -69.98 -40.28 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -64.17 -46.65 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.17 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' A' ' 121' ' ' PHE . 57.4 tp -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.94 33.68 4.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 t -81.69 15.4 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -107.66 -23.11 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -112.44 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.99 109.84 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' HG11 ' A' ' 106' ' ' VAL . 31.8 mt -88.24 91.64 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -70.43 -32.47 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -158.31 132.03 7.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.4 t -125.8 129.6 49.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -134.07 121.58 21.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 83' ' ' VAL . 80.6 t -117.33 120.29 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -109.3 111.38 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.505 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.2 ptpp? -86.64 -14.48 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 1.7 m-85 -74.71 -58.86 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -76.72 -21.34 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.92 33.12 16.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 72' ' ' ARG . 52.8 p -140.95 163.36 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.0 131.64 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 125.6 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' A' ' 92' ' ' LEU . 47.4 t -131.24 138.14 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.8 m -107.49 116.52 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -89.15 177.51 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.13 -66.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -102.9 177.71 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.29 32.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.01 -44.02 87.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.518 ' CB ' HD13 ' A' ' 108' ' ' LEU . 74.4 mt-30 -63.09 -39.7 95.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.52 -46.35 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.97 -44.1 85.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.08 99.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.17 -43.01 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.616 HD11 HG22 ' A' ' 69' ' ' ILE . 70.8 mt -67.7 -39.99 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.29 -47.98 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 89.1 m -78.83 -48.41 14.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.3 m-30 -61.33 -26.31 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 71.6 t60 -70.36 164.51 24.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 13.0 pt20 42.04 27.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -99.1 178.89 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -142.85 149.89 39.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.646 ' HB2' HD11 ' A' ' 131' ' ' LEU . 48.5 tp -141.2 143.35 34.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 126' ' ' LEU . 2.0 mmp_? 36.72 42.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 64.62 54.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -154.99 145.77 22.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.456 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.8 tt0 -80.78 124.33 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 126' ' ' LEU . 57.3 mt -102.64 131.54 49.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -107.41 121.24 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.54 141.99 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -155.08 161.33 41.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.14 142.4 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.439 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -124.9 164.42 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.6 tp -140.0 126.9 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.471 HG12 HG22 ' A' ' 133' ' ' VAL . 52.6 mt -115.37 131.55 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 103' ' ' THR . 47.3 mtp180 -114.54 136.99 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.55 81.72 1.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -118.18 147.96 42.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.22 14.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.273 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.17 3.6 76.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -119.57 -0.69 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 78' ' ' VAL . 8.8 p -51.96 116.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -119.93 166.51 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.515 ' HA ' HG21 ' A' ' 97' ' ' VAL . 45.0 m-80 -54.14 -33.02 56.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.18 -34.11 75.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 80' ' ' ASN . 15.3 m -70.03 -40.49 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.62 -47.88 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.87 -37.42 87.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 tp -65.67 -36.11 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 mt -114.77 34.98 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -82.97 12.55 4.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.84 -24.87 12.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.46 -177.94 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.43 109.63 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.99 97.79 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -76.1 -36.85 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.1 t80 -143.13 133.12 24.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.29 126.9 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 49.4 t80 -141.48 124.84 16.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 80' ' ' ASN . 61.1 t -121.88 117.88 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.27 96.28 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -74.93 -37.13 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -41.45 -58.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -78.37 -26.64 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 30.92 8.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 72' ' ' ARG . 30.7 p -140.96 158.05 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.83 130.08 48.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.3 m-85 -109.93 124.41 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.8 t -132.72 139.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.2 m -112.2 119.73 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.1 mt -91.1 175.96 6.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.77 -71.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.34 -175.81 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.81 -22.58 52.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.06 -41.81 97.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.556 ' CB ' HD13 ' A' ' 108' ' ' LEU . 31.3 mt-30 -70.85 -37.36 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.53 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.99 -46.73 87.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.0 -43.74 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.886 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.45 -43.87 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 69' ' ' ILE . 87.9 mt -66.84 -39.97 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.37 -45.15 80.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.5 m -78.96 -48.53 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.886 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -61.87 -25.82 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 34.0 t60 -70.73 157.59 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.9 pt20 47.19 26.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.5 p -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -133.61 154.49 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' A' ' 131' ' ' LEU . 32.3 tp -150.01 134.57 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 126' ' ' LEU . 18.4 mmt180 41.08 36.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 69.69 52.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -153.14 144.76 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 28.3 tt0 -80.15 125.08 29.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 126' ' ' LEU . 20.5 mt -101.07 131.0 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -104.33 120.05 40.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.471 HG22 HG12 ' A' ' 71' ' ' ILE . 39.4 t -123.66 135.54 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.87 158.87 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.14 142.7 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.45 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -128.15 164.59 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.7 tp -139.9 122.94 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 70' ' ' LEU . 54.9 mt -118.44 141.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.5 mtt-85 -129.0 141.46 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.22 71.67 1.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 78' ' ' VAL . 29.8 mt -106.81 151.78 40.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.75 179.22 3.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.88 -11.05 82.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -106.0 -1.33 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 78' ' ' VAL . 6.0 p -46.18 109.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -119.75 170.52 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p30 -56.91 -31.3 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.86 -34.35 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.98 -45.2 90.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 HG22 ' A' ' 97' ' ' VAL . 16.7 m -69.66 -39.73 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.4 -48.07 74.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.25 -37.1 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.58 -41.99 98.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.14 36.83 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -83.18 16.42 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.35 -24.58 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -108.45 178.88 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.91 110.31 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' HG11 ' A' ' 106' ' ' VAL . 34.5 mt -91.64 93.5 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -73.38 -37.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -143.17 135.46 27.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.2 p -124.3 129.99 51.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -138.59 125.94 21.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 83' ' ' VAL . 49.2 t -126.16 117.41 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.86 103.81 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 17.8 ptmt -76.13 -37.77 57.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 14.6 m-85 -42.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -67.77 -31.34 71.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.16 31.79 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 72' ' ' ARG . 54.5 p -137.59 156.82 47.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.92 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.9 m-85 -118.38 124.87 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.485 HG11 ' CD2' ' A' ' 92' ' ' LEU . 45.4 t -128.25 138.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -109.12 119.78 40.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.577 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -93.42 177.87 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.7 -73.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -98.89 -177.17 3.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.45 -16.62 60.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.12 -46.68 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.577 ' CB ' HD13 ' A' ' 108' ' ' LEU . 40.3 mt-30 -64.61 -34.46 78.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.75 -46.59 84.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -64.31 -46.08 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.71 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.71 -43.95 82.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.57 -40.31 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.08 -46.66 82.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 24.3 m -77.54 -48.75 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -60.31 -30.5 69.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 26.6 t-80 -70.62 168.62 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 8.6 pt20 42.29 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 122' ' ' HIS . 49.5 p -94.28 178.48 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -140.76 155.49 46.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.645 ' HB2' HD11 ' A' ' 131' ' ' LEU . 57.2 tp -150.86 135.12 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 39.55 41.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 65.28 53.89 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -153.22 145.97 24.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 32.3 tt0 -82.08 124.01 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 126' ' ' LEU . 40.1 mt -99.86 132.66 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -103.41 124.79 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.84 134.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.69 163.54 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.07 142.35 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -137.83 157.21 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.4 tp -140.66 129.66 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 70' ' ' LEU . 63.5 mt -116.41 144.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.9 mtp85 -129.57 132.13 46.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.24 81.74 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 78' ' ' VAL . 55.3 mt -109.86 149.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 174.72 9.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.94 -19.04 79.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -99.72 3.7 45.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 78' ' ' VAL . 10.1 p -55.79 105.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -119.46 170.9 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.624 ' HA ' HG21 ' A' ' 97' ' ' VAL . 5.2 m-20 -55.47 -32.89 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -64.04 -34.75 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.81 -46.02 83.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 97' ' ' VAL . 24.0 m -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' SER . 18.6 m-70 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -60.96 -33.96 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 121' ' ' PHE . 47.1 tp -71.16 -31.85 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -118.41 28.87 8.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' HIS . 1.1 m -83.21 12.14 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.04 -23.53 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.29 -174.81 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.26 108.74 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.3 mt -90.51 96.2 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -78.15 -37.37 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -141.85 132.28 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.65 128.57 48.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 1.1 t80 -141.64 120.85 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 ' HA ' ' A' ' 80' ' ' ASN . 26.0 t -118.56 119.09 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 3.9 p30 -113.93 108.84 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -82.27 -34.57 28.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -49.31 -64.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -30.33 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.6 33.06 7.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 72' ' ' ARG . 58.2 p -137.72 171.85 13.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.18 129.65 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 70' ' ' LEU . 93.5 m-85 -115.66 124.21 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.89 142.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.8 m -113.0 115.59 28.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.3 mt -87.88 176.63 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 tp -70.67 -72.13 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -104.03 179.68 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.05 -21.43 63.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -59.86 -46.95 87.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.642 ' CB ' HD13 ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.4 -39.82 89.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.98 88.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.28 -43.34 82.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.13 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.839 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.66 -44.02 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.598 HD11 HG22 ' A' ' 69' ' ' ILE . 83.4 mt -66.65 -40.09 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.22 -45.82 75.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.8 m -79.63 -49.0 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.839 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -60.23 -27.18 66.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 56.0 t60 -68.58 158.63 33.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.5 pt20 45.9 27.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.3 p -97.06 172.95 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 -140.62 149.54 42.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.736 ' CB ' HD11 ' A' ' 131' ' ' LEU . 29.7 tp -142.13 145.84 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.7 mmt-85 38.51 38.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.7 44.84 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -144.06 146.21 32.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 9.4 tm-20 -81.18 123.68 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.736 HD11 ' CB ' ' A' ' 126' ' ' LEU . 12.4 mt -104.04 132.99 49.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -105.23 122.62 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.46 135.71 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -151.77 158.39 43.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.97 142.87 57.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -128.23 158.86 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.154 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.876 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -140.71 123.77 16.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 133' ' ' VAL . 57.4 mt -112.7 141.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.2 mtp85 -126.05 132.43 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.2 79.31 1.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.22 151.49 39.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.507 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.3 Cg_endo -69.79 153.76 68.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -6.35 13.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -118.23 19.14 13.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 78' ' ' VAL . 11.8 p -68.57 117.96 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 82' ' ' GLU . 8.9 t -119.3 166.14 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.6 p30 -57.67 -37.37 73.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -59.22 -38.58 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 79' ' ' THR . 7.5 tp10 -64.0 -45.34 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG21 HG22 ' A' ' 97' ' ' VAL . 98.6 t -69.99 -40.03 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 13.1 m80 -65.87 -47.71 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.21 -31.35 72.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.08 -38.98 90.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.9 mt -113.81 34.65 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -80.14 10.01 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.97 -22.96 15.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -113.23 178.21 4.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.85 107.23 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' HG11 ' A' ' 106' ' ' VAL . 32.3 mt -86.91 91.91 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.4 t80 -151.93 132.05 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 84' ' ' HIS . 14.9 t -126.01 129.36 49.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 43.4 t80 -133.58 132.67 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG21 ' A' ' 83' ' ' VAL . 20.0 t -124.63 119.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.5 t0 -115.82 102.27 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -74.05 -45.69 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -37.5 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -67.78 -28.95 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 30.14 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 72' ' ' ARG . 66.4 p -137.49 157.53 46.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.45 136.87 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.4 m-85 -120.86 125.2 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 92' ' ' LEU . 31.9 t -130.93 141.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -108.62 120.52 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.8 mt -95.44 175.08 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.49 -74.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -117.85 -178.38 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.21 -16.07 78.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.99 -49.18 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.485 ' CB ' HD13 ' A' ' 108' ' ' LEU . 87.6 mt-30 -68.84 -33.4 73.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.16 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.12 -45.05 95.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.33 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.38 -42.94 95.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 65.0 mt -68.04 -39.98 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.69 -46.93 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -78.49 -48.82 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -60.51 -28.75 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 47.3 t60 -71.01 161.26 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.472 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 9.9 pt20 46.17 26.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.9 p -98.49 169.23 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -137.84 152.09 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.4 tp -143.7 142.58 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 38.8 38.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 65.9 49.15 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.9 146.14 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 12.4 pt-20 -79.83 125.33 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.524 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.9 mt -103.76 133.06 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 m -110.14 121.04 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 71' ' ' ILE . 16.9 t -127.05 137.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.69 162.1 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.04 140.08 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.447 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.8 pp -138.52 155.4 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 105' ' ' PHE . 9.6 tp -126.8 121.66 32.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 103' ' ' THR . 88.0 mt -109.31 144.97 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.625 ' HA ' HG22 ' A' ' 103' ' ' THR . 48.4 mtp85 -130.34 133.74 46.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.67 75.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 103' ' ' THR . 56.9 mt -104.01 154.39 38.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.43 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.3 Cg_endo -69.76 162.82 40.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.62 -7.49 65.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.06 19.09 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 78' ' ' VAL . 6.5 p -63.58 113.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -120.06 163.78 17.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.0 m120 -54.16 -31.3 52.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -66.14 -33.99 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.95 -45.16 90.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -69.37 -39.26 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -62.99 -48.04 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.61 -37.85 87.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 62.3 tp -63.49 -39.93 95.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.5 35.75 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -82.53 16.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -24.55 10.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.423 ' HB3' ' NE2' ' A' ' 113' ' ' GLN . 10.5 m-85 -108.89 175.61 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -82.51 108.92 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.09 91.42 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -69.65 -37.58 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -143.32 131.96 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 p -126.01 126.86 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -142.03 132.85 25.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 80' ' ' ASN . 83.1 t -124.55 117.84 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.07 94.08 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -65.51 -38.74 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -49.71 -58.41 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 103' ' ' THR . 35.1 mmtt -83.59 22.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 38.42 35.27 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 101' ' ' LYS . 78.8 p -138.13 168.88 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.93 131.09 21.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 70' ' ' LEU . 99.4 m-85 -109.49 124.04 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -128.68 141.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -116.38 117.44 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.1 mt -86.36 -179.77 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 -70.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -107.18 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.33 -26.75 50.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.67 -46.67 86.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' CB ' HD13 ' A' ' 108' ' ' LEU . 64.2 mt-30 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.61 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.4 -46.27 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.09 91.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.26 -43.7 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 95.5 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.33 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.8 m -79.25 -48.7 13.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.7 m-30 -63.66 -26.53 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 50.2 t60 -69.89 158.89 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 30.3 pt20 40.75 40.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -107.85 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -139.92 143.43 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.655 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.7 tp -139.69 119.33 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 57.58 45.56 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 60.4 48.17 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.61 147.68 32.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.5 tp10 -84.31 124.91 31.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.655 HD11 ' CB ' ' A' ' 126' ' ' LEU . 15.7 mt -103.8 132.85 49.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 138.57 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -140.26 130.98 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -150.84 166.35 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.39 145.74 53.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.425 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 1.5 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.533 0.682 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 118' ' ' ILE . 2.0 pp -139.87 164.68 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.6 tp -138.2 125.97 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 133' ' ' VAL . 55.4 mt -114.02 141.49 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 103' ' ' THR . 28.2 mtp85 -122.43 132.57 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 79.3 1.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.8 mt -106.42 150.48 39.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.81 156.22 63.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.16 -17.97 56.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.51 13.69 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.7 p -66.01 108.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -118.16 170.53 8.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 m-20 -56.42 -31.03 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -65.1 -34.36 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -46.11 79.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' ASN . 27.5 m -70.0 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.414 ' N ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-70 -63.55 -48.16 78.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.49 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.57 -41.51 98.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 108' ' ' LEU . 14.0 mt -114.21 34.43 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -73.97 -48.44 30.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.82 -37.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.05 173.73 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -87.0 107.85 18.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.41 ' CD2' HG11 ' A' ' 106' ' ' VAL . 53.8 mt -79.49 94.32 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.2 mptp? -69.5 -43.04 73.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -139.48 133.02 30.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -118.53 129.83 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 11.5 t80 -142.05 121.05 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.6 t -121.82 118.22 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -117.12 100.89 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' TYR . 19.2 ptmt -74.8 -44.22 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 19.4 m-85 -37.14 -67.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.74 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.2 29.5 6.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 72' ' ' ARG . 47.9 p -135.12 163.03 30.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' ' 70' ' ' LEU . 97.9 m-85 -110.55 123.47 50.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 92' ' ' LEU . 28.2 t -132.5 132.68 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -104.08 112.94 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.6 mt -82.17 176.63 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD1' ' HE3' ' A' ' 93' ' ' LYS . 31.3 tp -51.36 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -136.24 -175.31 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.9 -24.81 74.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 41.6 mm-40 -60.83 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.452 ' CB ' HD13 ' A' ' 108' ' ' LEU . 56.7 mt-30 -67.18 -33.8 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.01 -46.12 75.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.73 -46.95 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.706 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.47 -42.63 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.662 HD11 HG22 ' A' ' 69' ' ' ILE . 86.4 mt -67.09 -39.89 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -55.06 -47.64 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 56.8 m -79.21 -49.06 13.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.706 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -58.53 -29.98 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 35.8 t60 -71.04 159.29 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 5.6 pt20 49.54 28.32 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.3 p -100.3 170.78 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -138.33 145.51 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.57 ' CB ' HD11 ' A' ' 131' ' ' LEU . 21.5 tp -141.89 142.35 33.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 40.61 39.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 62.2 51.75 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.37 146.93 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.484 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 14.8 tp10 -79.73 125.37 29.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.1 mt -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.03 125.93 54.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 71' ' ' ILE . 38.3 t -128.88 135.65 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -151.11 165.75 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.17 139.77 40.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 110.958 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 118' ' ' ILE . 2.6 pp -134.61 160.09 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.5 tp -138.72 128.43 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.493 HG12 HG22 ' A' ' 133' ' ' VAL . 52.4 mt -116.7 141.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -123.59 134.02 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.56 74.0 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD22 HG21 ' A' ' 78' ' ' VAL . 42.0 mt -98.82 152.42 37.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.7 164.81 33.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.5 -15.93 73.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.47 18.31 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 78' ' ' VAL . 7.5 p -62.84 110.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.52 165.34 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.6 p30 -53.92 -31.09 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.07 -34.0 77.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.99 -46.03 86.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 11.7 m -69.79 -39.11 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -63.78 -47.96 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.85 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.499 HD11 ' CE1' ' A' ' 121' ' ' PHE . 60.0 tp -62.83 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.48 ' CB ' HD21 ' A' ' 92' ' ' LEU . 15.6 mt -109.27 33.69 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.7 t -81.15 11.86 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.79 -20.65 12.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -113.63 178.99 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.5 mp0 -83.57 106.97 15.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 87' ' ' LEU . 30.3 mt -86.56 87.86 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -59.12 -45.6 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 30.4 t80 -150.07 134.36 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.58 130.03 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 31.1 t80 -133.2 131.92 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 80' ' ' ASN . 90.2 t -126.11 123.88 64.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -116.98 105.56 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.0 ptpp? -81.13 -24.76 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.482 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 2.0 m-85 -63.51 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -70.68 -30.15 66.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 74' ' ' LEU . . . 93.14 28.34 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 74' ' ' LEU . 40.6 p -134.53 156.95 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.092 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.67 129.09 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -110.81 124.31 51.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG11 HD13 ' A' ' 87' ' ' LEU . 46.1 t -124.53 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.3 m -110.62 116.45 31.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 91' ' ' GLU . 11.8 mt -94.16 175.2 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.22 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 113' ' ' GLN . 22.4 p30 -118.01 -178.83 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.36 -25.88 56.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.65 -47.97 82.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.579 ' CB ' HD13 ' A' ' 108' ' ' LEU . 16.0 mt-30 -62.36 -37.6 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.43 82.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.05 -45.91 90.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.45 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.892 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.29 -43.69 81.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.831 HD11 HG22 ' A' ' 69' ' ' ILE . 85.2 mt -66.01 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.25 -47.14 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.2 m -78.12 -49.01 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.892 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.08 -27.6 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 21.0 t-80 -69.55 167.66 16.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 14.5 pt20 43.57 25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 60.0 p -95.06 174.43 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 mtm-85 -136.68 152.27 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.482 ' CB ' HD11 ' A' ' 131' ' ' LEU . 45.4 tp -149.34 121.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 52.97 47.31 24.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 57.75 51.16 9.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 140.68 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 4.5 pm0 -80.13 134.43 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.6 mt -112.57 132.68 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -109.71 120.01 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 71' ' ' ILE . 43.0 t -123.77 138.67 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.21 163.56 39.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.83 143.04 58.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.643 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -121.1 161.31 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -130.5 133.96 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.3 mt -129.03 140.9 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 103' ' ' THR . 44.6 mtt180 -130.82 133.36 45.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.6 70.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 103' ' ' THR . 36.8 mt -97.48 152.55 38.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.4 Cg_endo -69.79 168.18 22.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.69 -6.0 75.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.15 25.17 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 78' ' ' VAL . 12.3 p -71.55 115.82 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -119.95 161.1 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' HA ' HG21 ' A' ' 97' ' ' VAL . 7.1 p30 -54.21 -31.98 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -65.82 -33.98 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.29 -45.88 86.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 97' ' ' VAL . 16.3 m -69.43 -43.81 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 83' ' ' VAL . 13.9 m-70 -59.42 -48.0 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.87 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.95 -40.82 98.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 117' ' ' ALA . 13.5 mt -113.17 34.55 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 p -74.74 -46.46 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -38.85 -40.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.61 177.54 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.58 106.99 18.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 106' ' ' VAL . 38.5 mt -83.53 95.85 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -73.41 -29.32 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 95' ' ' CYS . 4.5 t80 -162.02 131.77 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 36.8 t -126.06 130.05 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 71.1 t80 -132.15 121.06 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 80' ' ' ASN . 94.8 t -119.34 118.34 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -116.62 95.59 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 19.4 ptmt -66.82 -42.56 85.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.481 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.2 m-85 -35.6 -65.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -71.72 -31.83 67.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.7 28.94 8.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 74' ' ' LEU . 66.6 p -133.59 164.21 27.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.37 136.04 43.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.6 m-85 -124.37 123.37 40.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 92' ' ' LEU . 34.1 t -130.02 147.44 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -115.47 116.21 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 113' ' ' GLN . 12.8 mt -87.69 -178.97 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.2 -69.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -116.44 -176.95 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.61 -18.83 74.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 4.4 pt-20 -65.06 -43.81 91.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.514 ' CB ' HD13 ' A' ' 108' ' ' LEU . 20.9 mt-30 -69.36 -33.21 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.95 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.85 -46.11 91.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.58 96.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.94 -43.39 83.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.643 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.03 -39.86 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -57.11 -45.81 83.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.4 m -78.6 -49.12 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -59.55 -31.8 69.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 42.7 t60 -66.01 156.69 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.6 pt20 47.71 33.77 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.5 p -103.4 171.24 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -140.41 150.77 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.637 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.6 tp -145.29 125.65 13.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 127' ' ' ARG . 11.6 mtp-105 52.65 44.6 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 60.63 51.96 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.54 146.73 28.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 1.2 tm-20 -83.42 121.03 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.637 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.0 mt -101.38 132.93 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.11 135.0 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 71' ' ' ILE . 38.7 t -143.68 130.9 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -154.56 166.63 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.45 145.15 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -127.12 161.82 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD13 ' CE2' ' A' ' 105' ' ' PHE . 8.5 tp -136.49 128.4 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.4 mt -120.62 144.97 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HA ' HG22 ' A' ' 103' ' ' THR . 61.0 mtt180 -133.86 138.06 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.78 67.36 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.02 152.55 37.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.45 12.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -17.08 80.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -106.83 15.49 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 78' ' ' VAL . 11.7 p -62.67 111.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -119.09 166.03 13.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.477 ' O ' HG22 ' A' ' 83' ' ' VAL . 28.7 m-80 -54.06 -31.09 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.32 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.03 -45.94 86.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.4 m -68.69 -39.04 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.8 -48.03 78.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -63.48 -37.04 85.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.7 tp -64.16 -41.73 97.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -111.87 36.12 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -82.98 17.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -109.46 -26.36 10.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -105.75 -179.7 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.0 109.48 18.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.3 mt -88.96 95.5 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -77.06 -31.68 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 5.9 t80 -150.08 131.97 15.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.4 p -125.82 129.8 50.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 81.3 t80 -137.51 134.44 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 80' ' ' ASN . 79.6 t -134.51 118.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -116.63 101.19 8.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -70.15 -40.41 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -43.14 -65.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.31 31.43 7.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 72' ' ' ARG . 60.8 p -135.27 169.31 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.19 130.19 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 70' ' ' LEU . 96.3 m-85 -116.23 123.89 48.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.93 146.4 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.0 m -116.36 117.01 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.491 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.4 mt -91.27 176.24 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 110' ' ' ASN . 51.1 tp -62.0 -71.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.42 ' CG ' ' HG ' ' A' ' 109' ' ' LEU . 9.4 m-80 -115.57 -175.94 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.75 -12.55 84.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 5.3 pt-20 -68.75 -45.97 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.491 ' OE1' HD22 ' A' ' 108' ' ' LEU . 55.3 mt-30 -69.83 -36.14 75.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.81 -46.34 85.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -61.02 -45.81 93.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.6 98.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.564 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.1 -43.57 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -67.71 -39.96 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -56.83 -47.17 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 60.8 m -78.16 -48.93 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.564 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.27 -27.66 68.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 62.6 t60 -70.52 162.12 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 20.4 pt20 42.71 29.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 176.23 5.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 125' ' ' ARG . 26.3 mtm105 -142.24 151.25 41.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.667 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.9 tp -146.56 127.06 14.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 53.66 40.91 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 62.48 53.14 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -151.64 144.95 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.9 tp10 -80.6 124.19 28.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.667 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.9 mt -103.82 130.59 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -103.34 128.29 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 118' ' ' ILE . 48.6 t -130.58 134.2 62.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -154.1 164.94 37.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.21 144.09 53.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.939 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -137.7 162.23 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.8 tp -141.04 127.43 19.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 133' ' ' VAL . 67.0 mt -117.92 145.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HA ' HG22 ' A' ' 103' ' ' THR . 70.8 mtt180 -133.67 131.92 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.11 68.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 78' ' ' VAL . 37.9 mt -92.59 152.84 42.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.2 Cg_endo -69.78 165.61 30.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -14.29 72.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -112.24 22.03 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.9 p -68.62 117.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 t -119.77 159.0 25.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 0.8 OUTLIER -54.03 -31.14 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -66.69 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -64.58 -45.74 85.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.8 m -69.66 -39.33 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.23 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.95 -37.36 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.674 HD21 ' HB1' ' A' ' 117' ' ' ALA . 14.7 mt -114.67 30.36 7.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 p -73.76 -43.79 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -41.56 -41.3 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.7 m-85 -87.59 177.05 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -87.38 108.6 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 106' ' ' VAL . 64.4 mt -85.24 95.77 9.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -76.88 -37.74 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 15.5 t80 -138.32 131.95 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 63.1 t80 -142.07 121.14 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.7 t -124.0 118.34 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 29.0 t0 -116.93 96.06 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -67.97 -41.22 82.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.95 -68.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -67.39 -37.79 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.01 28.54 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.7 p -132.4 170.23 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.16 129.25 20.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.3 m-85 -111.35 124.55 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 92' ' ' LEU . 49.0 t -132.89 132.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.3 m -106.19 118.98 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.1 mt -86.29 179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.16 -62.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.28 177.8 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.65 -31.37 33.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.29 -44.04 88.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.666 ' CB ' HD13 ' A' ' 108' ' ' LEU . 30.6 mt-30 -62.29 -37.68 86.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -68.01 -45.93 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.1 -46.8 88.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.62 93.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.864 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.2 -44.13 92.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.577 HG23 HG12 ' A' ' 133' ' ' VAL . 96.8 mt -67.58 -39.72 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.29 -42.35 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 m -79.51 -49.12 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.864 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.7 -34.19 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 44.3 t60 -65.45 159.72 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 7.4 pt20 48.4 28.55 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 p -105.76 166.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CA ' HD12 ' A' ' 131' ' ' LEU . 57.1 mtt180 -139.21 145.64 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.525 ' CB ' HD11 ' A' ' 131' ' ' LEU . 22.8 tp -140.06 121.25 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 26.4 mmt180 60.4 54.65 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 127' ' ' ARG . 6.9 pt-20 47.89 42.21 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -133.6 149.96 51.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 33.4 tt0 -85.29 125.26 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.4 mt -106.73 132.99 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -113.08 120.13 40.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.577 HG12 HG23 ' A' ' 118' ' ' ILE . 48.4 t -124.08 138.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLN . . . . . 0.469 ' CG ' HD23 ' A' ' 70' ' ' LEU . 6.1 pt20 -155.36 162.27 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 118' ' ' ILE . 27.3 mt -61.77 144.75 54.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -139.3 158.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 105' ' ' PHE . 7.9 tp -136.86 124.53 22.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.29 144.0 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.1 mtp85 -129.92 132.03 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.3 80.33 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 78' ' ' VAL . 79.1 mt -106.64 151.68 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 54.2 Cg_endo -69.78 156.75 62.47 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.75 -12.68 48.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.72 18.84 18.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.3 p -67.89 113.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 164.22 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.491 ' HA ' HG21 ' A' ' 97' ' ' VAL . 66.8 m-80 -56.28 -31.08 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -66.78 -35.84 81.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -65.42 -46.04 81.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 97' ' ' VAL . 28.4 m -70.03 -40.39 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.48 -48.11 81.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.3 -37.18 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.76 -41.97 98.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -114.5 30.46 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 p -72.88 -48.7 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.47 -41.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -87.54 177.11 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -87.22 109.64 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 106' ' ' VAL . 60.5 mt -86.12 93.45 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -74.67 -37.94 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -137.39 132.68 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.22 129.05 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 22.9 t80 -141.98 121.38 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 80' ' ' ASN . 52.2 t -122.8 117.43 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 96' ' ' PHE . 13.8 t70 -116.7 94.03 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.1 ptmm? -65.9 -45.91 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 8.5 m-85 -35.22 -68.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -37.51 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.04 34.53 4.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 72' ' ' ARG . 64.5 p -135.9 168.06 20.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 111.158 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.01 129.58 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.0 m-85 -112.12 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 92' ' ' LEU . 38.6 t -132.98 135.77 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 m -109.21 121.43 45.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.779 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.7 mt -87.46 177.59 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.1 -63.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -108.78 -174.65 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.39 -27.56 27.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.89 -40.88 85.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.779 ' CB ' HD13 ' A' ' 108' ' ' LEU . 72.2 mt-30 -66.27 -37.96 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.26 82.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.39 -46.53 89.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.68 85.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.59 -43.1 94.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 89.9 mt -67.02 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.33 -47.57 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.0 m -76.95 -48.96 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.62 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 11.0 m-30 -61.52 -29.02 69.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 39.3 t60 -66.87 157.28 33.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 16.5 pt20 45.27 28.87 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -96.81 171.34 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -142.02 151.68 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.504 HD21 ' HG3' ' A' ' 75' ' ' PRO . 14.2 tp -145.5 128.01 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 48.59 44.38 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 61.37 53.91 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -148.85 142.9 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.01 121.2 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.3 mt -100.94 131.71 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -104.8 137.66 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.57 130.97 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -155.98 161.02 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.58 142.88 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.414 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.959 HD11 ' HB ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -131.4 151.98 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 5.9 tp -127.47 127.46 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 51.5 mt -117.3 133.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.754 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.7 mtm180 -115.24 138.1 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' ' NH2' ' A' ' 129' ' ' ARG . . . 85.73 80.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -115.28 148.3 40.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.611 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.5 Cg_endo -69.77 157.31 60.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.82 0.01 16.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.558 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -114.96 2.86 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 75' ' ' PRO . 9.8 p -60.76 113.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -119.83 169.37 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.5 m120 -55.64 -31.16 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.37 -46.48 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -70.27 -38.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 95' ' ' CYS . 10.7 m80 -64.7 -48.07 76.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -61.81 -39.27 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.74 -34.14 77.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.81 33.05 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -81.07 4.68 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.72 -24.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -109.74 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.96 109.6 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' CD2' HG11 ' A' ' 106' ' ' VAL . 30.5 mt -90.37 90.64 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -70.84 -34.96 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 106' ' ' VAL . 15.5 t80 -155.89 132.0 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 2.2 t -125.94 129.59 49.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -129.37 123.87 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.4 HG21 ' HA ' ' A' ' 80' ' ' ASN . 40.5 t -117.12 118.53 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' HG3' ' A' ' 101' ' ' LYS . 6.7 t0 -117.03 95.66 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -66.76 -26.97 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.72 -55.64 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 15.1 mttt -72.73 -14.9 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.32 20.06 79.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.754 HG22 ' HA ' ' A' ' 72' ' ' ARG . 82.4 p -135.45 160.76 37.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.09 132.2 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.672 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 94.9 m-85 -117.14 127.14 53.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.959 ' HB ' HD11 ' A' ' 69' ' ' ILE . 98.2 t -130.81 149.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m -113.8 117.81 32.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.643 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -94.07 177.0 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.87 -74.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -102.99 179.05 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.41 -20.93 68.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.643 ' CB ' HD13 ' A' ' 108' ' ' LEU . 82.2 mt-30 -65.49 -32.31 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.84 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.27 -44.74 90.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.9 94.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.2 -43.22 78.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.543 ' CD1' HD23 ' A' ' 135' ' ' LEU . 91.4 mt -67.77 -40.03 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.43 -45.97 76.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.2 m -80.04 -48.99 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 8.7 m-30 -61.14 -26.23 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.3 t60 -70.88 164.69 24.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLN . . . . . 0.5 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 2.5 pp0? 34.24 33.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.4 p -97.59 178.0 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -140.16 147.69 40.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.693 ' CB ' HD11 ' A' ' 131' ' ' LEU . 19.4 tp -142.03 124.83 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 49.6 44.17 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 62.9 51.3 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.471 ' NH2' ' C ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -149.8 145.04 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -80.02 126.36 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 126' ' ' LEU . 28.7 mt -105.73 130.02 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -104.14 120.43 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.45 HG21 ' C ' ' A' ' 121' ' ' PHE . 21.2 t -119.7 141.16 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.99 160.15 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 118' ' ' ILE . 48.1 mt -64.53 143.34 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 p -90.11 162.85 15.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -106.14 84.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.68 -165.58 34.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -152.91 162.44 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -78.22 -47.9 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.29 146.76 2.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.772 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -133.86 164.4 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 105' ' ' PHE . 11.2 tp -138.64 123.08 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.0 mt -111.17 125.02 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 103' ' ' THR . 22.4 mtt180 -113.25 132.91 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 77.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD11 ' C ' ' A' ' 103' ' ' THR . 44.5 mt -109.57 152.49 42.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.553 0.692 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.43 42.09 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -11.99 64.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.04 19.88 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 78' ' ' VAL . 9.6 p -67.03 113.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -119.89 164.41 16.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 p-10 -54.03 -35.24 61.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -62.08 -34.12 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.27 -45.95 85.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.1 m -69.87 -39.06 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -61.93 -45.66 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -66.12 -37.97 87.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 67.2 tp -61.12 -41.95 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.1 mt -109.01 35.3 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -81.11 14.38 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.34 -23.79 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.489 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.3 m-85 -109.56 177.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -84.49 109.34 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.38 93.27 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -72.31 -39.39 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 19.2 t80 -142.13 133.18 26.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 p -123.61 129.09 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 18.1 t80 -138.42 133.49 32.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 77.3 t -133.73 117.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.7 t0 -116.95 98.26 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -67.92 -41.3 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.96 -67.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -69.54 -38.8 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.68 34.8 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.531 ' C ' HD11 ' A' ' 74' ' ' LEU . 52.2 p -136.84 168.94 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.0 129.54 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.9 m-85 -112.3 124.41 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.76 135.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -111.07 115.44 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 91' ' ' GLU . 8.6 mt -87.41 -179.31 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.94 -67.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -105.25 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.76 -26.91 33.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.42 -46.41 86.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.48 ' C ' HD13 ' A' ' 108' ' ' LEU . 40.0 mt-30 -66.47 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.85 -43.55 79.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.17 -44.78 94.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.35 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.6 -44.0 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 69' ' ' ILE . 77.4 mt -67.96 -40.04 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -58.87 -44.83 91.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -78.17 -49.02 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.6 m-30 -61.98 -30.81 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 37.8 t60 -68.99 156.13 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 4.0 pt20 45.29 31.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.9 p -98.75 174.67 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -139.37 148.36 42.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.445 ' CB ' HD11 ' A' ' 131' ' ' LEU . 11.4 tp -145.59 116.16 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 61.15 47.48 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 58.84 54.9 4.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -152.48 151.36 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 47.6 tt0 -89.68 128.33 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.5 mt -106.97 132.96 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 m -108.9 127.69 54.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.1 139.42 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -155.86 161.61 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.12 143.31 55.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 42.7 tt0 -57.53 139.28 81.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 53.7 Cg_endo -69.78 178.12 4.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 36.9 p -77.91 82.23 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.7 t70 68.19 31.89 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 42.58 48.62 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.13 111.67 22.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.12 112.78 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 18.0 t -129.38 153.71 47.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 65.4 m -123.11 122.73 39.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 175.38 177.76 44.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.31 67.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -82.98 -56.18 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.5 p -155.61 170.94 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.0 p -113.53 111.77 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.802 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.443 ' HA ' HD13 ' A' ' 135' ' ' LEU . 80.1 p -152.9 171.44 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.07 -64.92 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.6 m -82.6 144.96 29.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLY . 23.7 t -81.98 -43.92 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -37.34 151.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -122.55 160.94 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.9 tp -137.51 124.94 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.84 144.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HA ' HG22 ' A' ' 103' ' ' THR . 23.2 mtp85 -129.45 132.87 47.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' O ' ' CZ ' ' A' ' 129' ' ' ARG . . . 90.82 78.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 78' ' ' VAL . 59.6 mt -114.08 149.28 41.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.75 168.73 20.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.13 -15.09 78.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -102.93 6.14 38.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 75' ' ' PRO . 7.2 p -59.06 112.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -119.96 170.26 9.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.501 ' HA ' HG21 ' A' ' 97' ' ' VAL . 14.6 t-20 -57.19 -31.81 65.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -62.36 -34.07 75.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.19 -46.02 85.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 80' ' ' ASN . 14.5 m -69.99 -39.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.49 -47.97 76.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.01 -37.5 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 68.1 tp -64.99 -38.63 91.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.66 34.14 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -82.36 15.21 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -108.51 -18.05 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.5 ' HB2' HD21 ' A' ' 108' ' ' LEU . 15.8 m-85 -115.5 176.31 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.34 108.18 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.8 mt -85.59 94.55 9.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -38.34 62.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.0 t80 -141.09 134.06 29.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.51 129.76 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 48.4 t80 -141.71 128.16 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 80' ' ' ASN . 43.3 t -129.48 119.93 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 10.6 t0 -116.9 102.43 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 15.3 ptmt -72.22 -39.57 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.456 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.6 m-85 -43.39 -69.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -67.54 -33.24 74.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.42 33.29 6.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 72' ' ' ARG . 65.4 p -136.45 162.36 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.96 43.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 70' ' ' LEU . 96.9 m-85 -115.54 124.79 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.19 138.16 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.9 m -114.04 115.39 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.73 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.2 mt -86.93 179.93 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -71.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.91 -177.05 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.79 -20.41 61.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.54 -47.38 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.73 ' OE1' HD22 ' A' ' 108' ' ' LEU . 79.4 mt-30 -64.71 -34.33 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.24 -46.6 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.98 -46.05 89.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.35 97.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.37 -43.92 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.3 mt -67.27 -40.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -57.28 -46.75 82.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.9 m -77.54 -48.64 16.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.9 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.9 t60 -70.94 167.41 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 3.0 pp0? 34.66 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 122' ' ' HIS . 24.6 p -101.35 171.5 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -136.74 148.12 47.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.656 ' CB ' HD11 ' A' ' 131' ' ' LEU . 14.5 tp -140.04 135.19 32.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 41.97 44.48 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 62.83 54.18 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -153.39 143.74 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.95 128.65 33.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.4 mt -108.71 130.78 55.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -104.8 123.86 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.16 140.78 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.73 161.66 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 118' ' ' ILE . 33.3 mt -65.08 141.37 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 40.2 tt0 -53.93 139.33 53.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.73 143.02 49.63 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.0 t -74.32 -25.59 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.69 49.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -92.35 -40.28 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 tt -115.95 -40.49 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.6 mt 52.38 45.35 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 7.2 t -39.87 -44.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 52.6 p -67.53 128.1 35.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.2 -73.92 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 0.15 6.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.1 m -110.24 159.87 17.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.1 m -113.06 -59.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.0 p -170.27 136.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.5 t -124.99 157.75 35.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.53 99.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 t -71.34 121.19 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.5 p -68.45 -33.79 74.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.24 153.25 52.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.523 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -129.74 161.01 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 105' ' ' PHE . 6.9 tp -136.66 121.51 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.78 143.08 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -126.58 133.07 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.43 ' O ' ' NH1' ' A' ' 129' ' ' ARG . . . 89.64 81.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.9 mt -113.27 150.28 42.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.77 164.95 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.0 -5.5 61.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.25 18.66 13.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.58 HG13 ' O ' ' A' ' 78' ' ' VAL . 13.5 p -67.84 114.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.34 163.37 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.505 ' HA ' HG21 ' A' ' 97' ' ' VAL . 4.0 p-10 -54.14 -35.31 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -60.13 -36.3 77.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.98 -44.76 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' ND1' HD13 ' A' ' 92' ' ' LEU . 20.8 m-70 -62.51 -48.02 81.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.56 -37.4 86.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.58 -38.96 92.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 117' ' ' ALA . 14.4 mt -112.94 34.26 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -82.82 17.57 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.07 -23.74 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.44 178.22 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.65 107.83 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.408 HD13 ' ND1' ' A' ' 84' ' ' HIS . 44.5 mt -86.36 94.35 9.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -72.03 -35.1 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 36.0 t80 -149.43 132.06 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.05 129.62 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 53.1 t80 -141.49 126.66 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 80' ' ' ASN . 68.8 t -127.18 120.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -115.87 95.51 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -33.04 74.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.21 -54.78 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.712 ' O ' HG23 ' A' ' 103' ' ' THR . 22.6 mmtp -81.1 10.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.38 23.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 101' ' ' LYS . 42.7 p -139.68 165.95 25.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.54 129.62 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 70' ' ' LEU . 65.7 m-85 -110.29 126.7 54.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.89 138.26 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.6 m -108.21 113.08 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.486 HD22 ' OE1' ' A' ' 113' ' ' GLN . 12.9 mt -85.15 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.68 -67.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -120.42 -177.89 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.68 -24.63 74.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.94 -43.0 99.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.486 ' OE1' HD22 ' A' ' 108' ' ' LEU . 84.6 mt-30 -68.8 -32.48 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.23 -46.31 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.7 -46.26 90.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.8 93.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.776 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.39 -43.03 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 75.1 mt -67.84 -40.17 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.05 -44.26 82.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.9 m -79.6 -49.0 12.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.776 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.4 m-30 -61.81 -27.72 68.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.3 t-80 -70.15 167.38 17.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.1 pt20 43.66 25.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.4 p -93.86 170.38 9.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -142.43 145.79 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 131' ' ' LEU . 24.4 tp -139.51 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.432 ' CD ' ' HB3' ' A' ' 75' ' ' PRO . 40.0 mtp85 38.95 36.82 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 67.09 45.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -142.94 152.07 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 44.5 tt0 -84.21 123.28 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.6 mt -100.45 130.14 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -105.1 127.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.4 135.31 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -149.61 166.85 28.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.57 144.72 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.05 136.68 53.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.15 64.22 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 35.5 m -77.09 137.43 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.6 t70 68.97 48.38 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.7 143.14 28.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 142' ' ' LEU . 3.7 tt -172.51 121.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 141' ' ' LEU . 18.3 mt 42.62 38.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.55 154.59 42.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.4 p -153.89 121.57 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.71 149.24 5.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 147' ' ' SER . 53.8 Cg_endo -69.74 1.67 4.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 146' ' ' PRO . 1.1 t -34.28 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.9 t -173.68 160.68 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 m -74.56 151.56 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 t 43.15 41.5 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 -176.33 51.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -99.26 175.34 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.1 t -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.32 149.03 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -134.48 153.14 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.7 tp -136.14 125.79 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.2 mt -117.4 143.61 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.4 mtp-105 -126.5 137.15 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 86.04 81.91 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 78' ' ' VAL . 67.8 mt -108.51 150.12 40.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.27 3.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.93 -15.14 78.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.21 11.15 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.9 p -60.94 107.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 168.19 11.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.486 ' HA ' HG21 ' A' ' 97' ' ' VAL . 13.8 m-80 -54.07 -32.38 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -64.98 -33.95 77.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.97 -45.5 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.3 m -69.9 -41.38 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.7 m-70 -62.14 -47.97 82.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.59 -32.83 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.62 -41.99 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 117' ' ' ALA . 12.7 mt -113.17 36.6 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' TYR . 59.3 p -74.37 -48.07 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.8 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.72 -41.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' SER . 15.8 m-85 -89.27 177.16 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.64 107.26 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 84' ' ' HIS . 67.3 mt -79.42 96.12 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -75.98 -38.74 57.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 10.1 t80 -138.77 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 18.1 p -122.06 128.78 51.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 59.8 t80 -141.7 121.53 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 80' ' ' ASN . 82.8 t -123.29 117.57 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -116.73 94.72 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -66.84 -46.35 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.8 m-85 -34.37 -67.62 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -67.64 -34.21 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 29.56 7.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 72' ' ' ARG . 43.7 p -137.76 169.24 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.67 135.09 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.5 m-85 -115.51 125.62 53.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.96 140.7 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -111.13 115.82 30.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.6 mt -84.18 178.62 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.31 -63.19 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -105.59 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.51 -29.92 38.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.92 -42.41 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.663 ' CB ' HD13 ' A' ' 108' ' ' LEU . 77.1 mt-30 -61.06 -38.38 86.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.11 -46.86 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.2 -45.72 92.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.718 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.26 -43.92 89.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 85.8 mt -67.88 -40.8 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.18 -45.59 83.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.3 m -77.62 -49.11 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.718 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.7 m-30 -63.62 -23.52 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 20.4 t-80 -71.04 167.38 19.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.0 pt20 43.75 25.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p -95.66 169.31 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.94 153.03 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 131' ' ' LEU . 61.6 tp -147.92 132.77 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 48.76 42.88 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 58.79 45.72 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -138.64 145.59 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.98 124.93 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.634 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.7 mt -109.46 132.98 53.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.4 122.81 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -126.74 136.41 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.05 161.48 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.09 146.01 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -69.75 158.52 86.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.48 6.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.0 m -37.8 -58.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -125.92 106.54 9.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.55 117.59 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 142' ' ' LEU . 5.8 tt -172.03 145.66 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.721 ' N ' HD23 ' A' ' 141' ' ' LEU . 51.9 mt -48.49 130.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.19 39.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 45.6 m -88.98 148.13 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 128.98 82.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.4 t -122.27 157.42 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.8 m -57.9 135.09 56.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -105.33 98.59 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.7 t 56.91 41.85 27.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -158.2 101.17 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.9 m -93.79 157.82 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -105.0 76.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.24 166.67 23.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.502 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -134.18 160.04 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' A' ' 105' ' ' PHE . 6.7 tp -137.32 125.54 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.7 mt -114.7 142.39 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HA ' HG22 ' A' ' 103' ' ' THR . 46.6 mtt180 -133.89 132.03 39.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.52 68.84 1.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 HG21 ' A' ' 71' ' ' ILE . 26.8 mt -102.49 151.8 38.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.75 176.19 7.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -17.64 77.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.78 9.24 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.616 HG13 ' O ' ' A' ' 78' ' ' VAL . 10.2 p -59.61 108.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -119.94 168.69 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HA ' HG21 ' A' ' 97' ' ' VAL . 34.3 t30 -54.15 -33.75 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.08 -38.98 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.92 -45.0 91.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.586 HG21 HG22 ' A' ' 97' ' ' VAL . 87.1 t -69.99 -38.93 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.78 -46.7 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -64.64 -38.99 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.98 -38.72 79.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.04 34.55 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -80.59 11.85 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -108.35 -21.32 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -111.08 170.7 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -77.35 107.24 9.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.64 93.37 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 93' ' ' LYS . 1.4 mmpt? -69.37 -41.81 76.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -143.54 132.95 23.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.99 130.01 55.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 28.0 t80 -141.67 134.24 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.586 HG22 HG21 ' A' ' 83' ' ' VAL . 56.1 t -135.29 118.46 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 102.83 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 10.0 ptpt -73.62 -44.72 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 11.5 m-85 -36.14 -68.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -68.79 -35.46 77.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 28.22 7.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 72' ' ' ARG . 59.4 p -129.75 165.74 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -138.84 130.39 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -116.76 124.6 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.97 131.83 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -104.25 112.99 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -85.85 -179.02 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.45 -71.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.36 179.19 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.97 -23.2 74.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -58.02 -48.48 79.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.422 ' CB ' HD13 ' A' ' 108' ' ' LEU . 63.4 mt-30 -70.97 -34.12 71.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.1 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -63.51 -46.38 86.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.17 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -69.26 -44.04 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.502 HD11 HG22 ' A' ' 69' ' ' ILE . 84.7 mt -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.34 -47.83 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.8 m -78.22 -49.01 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -59.13 -29.28 67.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 62.3 t60 -70.21 161.56 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.1 pt20 45.57 28.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.8 p -98.53 171.15 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -142.82 151.67 41.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.468 ' CB ' HD11 ' A' ' 131' ' ' LEU . 13.4 tp -143.67 146.77 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 126' ' ' LEU . 23.8 mmt85 36.25 40.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 63.44 53.67 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.4 146.13 28.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 38.8 tt0 -80.23 124.27 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 126' ' ' LEU . 6.7 mt -106.83 129.88 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -105.28 124.68 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.5 132.82 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -154.47 159.68 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.59 141.25 57.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -63.85 150.64 90.86 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.45 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.5 p -41.18 -61.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.83 92.81 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.51 -62.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -136.35 115.91 12.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 22.7 tp -111.74 110.26 20.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 2.1 m -153.44 135.71 14.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.7 t -111.15 -55.41 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 112.34 -95.04 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 151.57 69.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -84.0 -49.26 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.5 t -118.38 117.85 30.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.485 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.9 p -143.45 140.99 30.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -144.94 166.95 23.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.38 -132.0 10.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -148.21 -179.35 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.807 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.6 p -98.41 -33.89 10.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.47 135.76 22.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.415 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -117.71 159.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 12.3 tp -132.55 132.81 42.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -108.89 145.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.568 ' HA ' HG22 ' A' ' 103' ' ' THR . 21.0 mmm-85 -123.28 139.96 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.89 81.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.582 HD11 ' C ' ' A' ' 103' ' ' THR . 83.8 mt -100.85 150.49 37.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.73 58.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.82 21.84 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.62 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.7 p -65.67 111.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 81' ' ' GLN . 13.1 t -120.06 166.26 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.1 m-20 -53.91 -32.7 54.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 79' ' ' THR . 15.1 tp60 -63.27 -38.48 91.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -64.25 -44.36 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 97' ' ' VAL . 93.1 t -70.02 -38.96 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -63.19 -47.88 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 -37.16 86.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.0 tp -60.47 -41.9 95.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.32 36.48 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -83.48 18.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.49 -26.32 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.5 -179.64 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -83.83 107.41 16.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 106' ' ' VAL . 42.2 mt -87.94 94.4 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -77.71 -35.67 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -142.34 131.93 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.1 p -126.01 130.13 50.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -139.06 133.2 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 83' ' ' VAL . 83.6 t -126.66 126.21 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -116.96 109.28 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.9 ptpp? -83.63 -29.96 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 m-85 -59.96 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 34.33 7.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.582 ' C ' HD11 ' A' ' 74' ' ' LEU . 74.6 p -137.92 168.58 19.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.2 130.24 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.762 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 87.1 m-85 -112.48 124.12 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 92' ' ' LEU . 61.2 t -132.3 136.8 55.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -105.26 113.09 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.0 mt -83.87 -178.88 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.3 tp -81.71 -62.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -105.39 177.56 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.68 29.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.44 -42.43 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.575 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.0 mt-30 -60.52 -33.77 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.58 72.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.79 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.09 -43.48 87.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 135' ' ' LEU . 97.0 mt -67.68 -39.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -58.47 -46.59 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -77.61 -49.12 15.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.636 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.0 m-30 -59.26 -35.13 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.7 t-80 -65.81 167.37 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.5 pt20 43.81 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.5 p -97.61 172.35 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -141.21 154.9 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 131' ' ' LEU . 10.9 tp -151.89 127.32 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 55.77 37.71 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.42 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD2' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -149.68 146.28 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.66 122.52 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 126' ' ' LEU . 7.0 mt -98.05 133.05 43.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -106.72 142.96 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.1 t -142.34 138.94 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.1 pm0 -148.05 160.9 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 118' ' ' ILE . 44.5 mt -66.87 144.66 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -65.42 143.76 98.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.96 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.698 ' HB2' ' HB2' ' A' ' 140' ' ' ALA . 53.5 Cg_endo -69.69 112.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.2 p -58.83 89.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 t70 69.15 47.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 137' ' ' PRO . . . -40.5 -57.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 14.4 tp -86.73 156.61 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.6 mt -141.02 157.86 44.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 15.1 t -68.55 -53.02 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.4 p -45.24 165.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -160.33 -166.19 18.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 87.62 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.286 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.1 m -128.79 158.14 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.4 m -70.06 140.29 52.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -101.35 -44.15 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.79 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.3 m -155.22 129.31 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.76 110.07 3.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 m -129.16 -50.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.7 p -121.61 139.93 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.76 148.9 4.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.844 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -136.08 159.78 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 71' ' ' ILE . 2.8 tp -136.53 126.2 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 70' ' ' LEU . 69.0 mt -115.35 137.06 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.529 ' HA ' HG22 ' A' ' 103' ' ' THR . 40.8 mtp180 -122.63 134.84 54.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.34 81.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 HG21 ' A' ' 71' ' ' ILE . 53.3 mt -119.02 152.35 51.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -173.46 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.66 -0.14 67.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -114.17 -0.98 13.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 78' ' ' VAL . 12.5 p -57.14 108.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -117.36 170.67 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 83' ' ' VAL . 1.1 p30 -57.18 -33.73 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -61.59 -34.0 74.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.22 -45.94 86.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.7 m -69.98 -39.73 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.29 -47.89 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -64.73 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.4 -40.08 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -107.92 34.49 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 t -82.8 15.05 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.42 -24.22 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.45 -176.8 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 108' ' ' LEU . 7.0 mm-40 -89.51 109.14 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.07 93.42 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -75.08 -36.33 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 55.0 t80 -143.57 132.03 22.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 12.1 p -123.36 129.5 51.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -141.2 121.04 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 80' ' ' ASN . 95.7 t -125.61 120.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -116.65 95.08 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' TYR . 9.6 pttt -65.83 -47.56 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 m-85 -35.06 -68.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -28.1 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 31.45 9.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.529 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.5 p -136.84 159.46 41.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.24 132.68 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 70' ' ' LEU . 86.1 m-85 -114.81 123.14 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.6 t -125.87 141.25 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -115.63 119.26 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.531 HD13 ' CB ' ' A' ' 113' ' ' GLN . 18.0 mt -96.86 174.56 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.3 -72.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -103.48 -175.29 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.51 -23.44 50.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.15 -45.81 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.531 ' CB ' HD13 ' A' ' 108' ' ' LEU . 66.8 mt-30 -66.9 -41.35 87.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.33 -44.29 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.19 -44.34 79.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.03 91.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.903 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.67 -43.7 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.844 HD11 HG22 ' A' ' 69' ' ' ILE . 78.5 mt -66.26 -40.08 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -55.61 -46.7 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.4 m -77.51 -48.75 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.903 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.8 m-30 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 8.9 t-80 -71.1 169.25 15.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.615 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 4.7 pp0? 33.89 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' HIS . 91.4 p -100.29 -179.39 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 25.4 mtm105 -141.14 152.03 44.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.868 ' CB ' HD11 ' A' ' 131' ' ' LEU . 31.2 tp -149.49 126.83 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 53.92 37.78 27.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 64.9 51.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -151.17 146.27 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.2 tp10 -80.75 123.68 28.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.868 HD11 ' CB ' ' A' ' 126' ' ' LEU . 14.1 mt -106.06 132.33 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -105.46 125.52 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.3 137.25 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -155.91 161.96 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.24 141.75 57.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.72 146.24 94.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.32 21.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.1 p -63.9 -43.06 97.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -135.09 137.66 43.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -131.04 37.93 3.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.9 mt -89.87 -55.04 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 142' ' ' LEU . 8.4 tt -87.99 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.27 123.63 22.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.3 p -64.8 -42.88 94.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -113.22 164.56 12.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -24.72 29.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.3 m -136.1 115.94 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 86.5 p -114.74 175.6 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -152.05 162.14 41.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -41.99 148.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.82 107.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.455 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m -150.7 150.9 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 p -82.01 179.66 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . 83.27 136.09 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.616 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -131.07 161.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.3 tp -139.86 128.81 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 70' ' ' LEU . 47.4 mt -115.67 141.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.484 ' HA ' HG22 ' A' ' 103' ' ' THR . 34.0 mtp180 -125.31 134.24 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.405 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 90.07 81.11 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.9 mt -114.09 149.66 42.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.492 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.77 175.41 8.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.75 -6.19 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.42 3.74 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.497 HG13 ' O ' ' A' ' 78' ' ' VAL . 7.5 p -55.93 115.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -119.46 166.83 12.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.49 ' HA ' HG21 ' A' ' 97' ' ' VAL . 18.5 p30 -56.71 -31.78 64.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.76 -34.4 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.04 -45.52 88.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.5 m -69.98 -40.28 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -64.17 -46.65 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.17 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' A' ' 121' ' ' PHE . 57.4 tp -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.94 33.68 4.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 t -81.69 15.4 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -107.66 -23.11 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -112.44 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.99 109.84 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' HG11 ' A' ' 106' ' ' VAL . 31.8 mt -88.24 91.64 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -70.43 -32.47 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -158.31 132.03 7.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.4 t -125.8 129.6 49.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -134.07 121.58 21.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 83' ' ' VAL . 80.6 t -117.33 120.29 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -109.3 111.38 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.505 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.2 ptpp? -86.64 -14.48 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 1.7 m-85 -74.71 -58.86 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -76.72 -21.34 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.92 33.12 16.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 72' ' ' ARG . 52.8 p -140.95 163.36 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.0 131.64 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 125.6 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' A' ' 92' ' ' LEU . 47.4 t -131.24 138.14 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.8 m -107.49 116.52 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -89.15 177.51 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.13 -66.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -102.9 177.71 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.29 32.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.01 -44.02 87.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.518 ' CB ' HD13 ' A' ' 108' ' ' LEU . 74.4 mt-30 -63.09 -39.7 95.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.52 -46.35 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.97 -44.1 85.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.08 99.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.17 -43.01 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.616 HD11 HG22 ' A' ' 69' ' ' ILE . 70.8 mt -67.7 -39.99 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.29 -47.98 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 89.1 m -78.83 -48.41 14.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.3 m-30 -61.33 -26.31 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 71.6 t60 -70.36 164.51 24.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 13.0 pt20 42.04 27.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -99.1 178.89 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -142.85 149.89 39.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.646 ' HB2' HD11 ' A' ' 131' ' ' LEU . 48.5 tp -141.2 143.35 34.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 126' ' ' LEU . 2.0 mmp_? 36.72 42.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 64.62 54.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -154.99 145.77 22.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.8 tt0 -80.78 124.33 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 126' ' ' LEU . 57.3 mt -102.64 131.54 49.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -107.41 121.24 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.54 141.99 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -155.08 161.33 41.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.14 142.4 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.439 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 -78.45 138.47 59.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 144.95 55.26 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.226 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 28.6 m -40.51 -38.87 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.22 116.97 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -113.64 -47.26 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.8 mt -47.26 131.63 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.6 mt -97.09 41.93 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 4.4 m -121.16 87.12 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.1 m -54.21 134.73 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.23 166.14 34.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 141.61 45.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -153.57 127.93 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 7.5 t -88.25 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -147.86 119.95 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.0 m -109.55 -56.11 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.49 -111.71 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 m 55.96 39.99 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' GLY . 23.0 t -105.12 -63.57 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -34.58 146.2 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -124.9 164.42 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.6 tp -140.0 126.9 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.471 HG12 HG22 ' A' ' 133' ' ' VAL . 52.6 mt -115.37 131.55 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 103' ' ' THR . 47.3 mtp180 -114.54 136.99 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.55 81.72 1.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -118.18 147.96 42.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.22 14.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.273 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.17 3.6 76.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -119.57 -0.69 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 78' ' ' VAL . 8.8 p -51.96 116.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -119.93 166.51 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.515 ' HA ' HG21 ' A' ' 97' ' ' VAL . 45.0 m-80 -54.14 -33.02 56.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.18 -34.11 75.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 80' ' ' ASN . 15.3 m -70.03 -40.49 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.62 -47.88 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.87 -37.42 87.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 tp -65.67 -36.11 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 mt -114.77 34.98 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -82.97 12.55 4.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.84 -24.87 12.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.46 -177.94 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.43 109.63 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.99 97.79 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -76.1 -36.85 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.1 t80 -143.13 133.12 24.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.29 126.9 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 49.4 t80 -141.48 124.84 16.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 80' ' ' ASN . 61.1 t -121.88 117.88 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.27 96.28 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -74.93 -37.13 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -41.45 -58.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -78.37 -26.64 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 30.92 8.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 72' ' ' ARG . 30.7 p -140.96 158.05 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.83 130.08 48.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.3 m-85 -109.93 124.41 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.8 t -132.72 139.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.2 m -112.2 119.73 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.1 mt -91.1 175.96 6.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.77 -71.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.34 -175.81 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.81 -22.58 52.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.06 -41.81 97.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.556 ' CB ' HD13 ' A' ' 108' ' ' LEU . 31.3 mt-30 -70.85 -37.36 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.53 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.99 -46.73 87.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.0 -43.74 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.886 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.45 -43.87 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 69' ' ' ILE . 87.9 mt -66.84 -39.97 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.37 -45.15 80.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.5 m -78.96 -48.53 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.886 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -61.87 -25.82 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 34.0 t60 -70.73 157.59 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.9 pt20 47.19 26.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.5 p -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -133.61 154.49 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' A' ' 131' ' ' LEU . 32.3 tp -150.01 134.57 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 126' ' ' LEU . 18.4 mmt180 41.08 36.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 69.69 52.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.432 ' HD3' ' C ' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -153.14 144.76 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 28.3 tt0 -80.15 125.08 29.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 126' ' ' LEU . 20.5 mt -101.07 131.0 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -104.33 120.05 40.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.471 HG22 HG12 ' A' ' 71' ' ' ILE . 39.4 t -123.66 135.54 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.87 158.87 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.14 142.7 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 35.1 tt0 -45.31 139.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 53.7 Cg_endo -69.81 102.24 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.0 t -44.73 157.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t70 45.24 40.75 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 137' ' ' PRO . . . -71.08 -45.16 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 tp -88.36 -59.57 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 142' ' ' LEU . 4.1 mp -60.84 162.92 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 3.3 t -142.62 161.37 38.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 76.7 p -131.14 160.43 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -74.43 147.0 36.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 93.46 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -52.13 -53.75 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.7 m -151.53 117.61 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -157.62 158.6 35.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.9 p -82.44 169.97 15.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -171.86 -80.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.434 ' O ' HD22 ' A' ' 135' ' ' LEU . 62.8 m -108.58 121.75 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.1 m -79.28 -37.72 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.68 157.93 37.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.45 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -128.15 164.59 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.7 tp -139.9 122.94 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 70' ' ' LEU . 54.9 mt -118.44 141.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.5 mtt-85 -129.0 141.46 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.22 71.67 1.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 78' ' ' VAL . 29.8 mt -106.81 151.78 40.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.75 179.22 3.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.88 -11.05 82.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -106.0 -1.33 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 78' ' ' VAL . 6.0 p -46.18 109.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -119.75 170.52 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p30 -56.91 -31.3 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.86 -34.35 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.98 -45.2 90.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 HG22 ' A' ' 97' ' ' VAL . 16.7 m -69.66 -39.73 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.4 -48.07 74.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.25 -37.1 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.58 -41.99 98.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.14 36.83 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -83.18 16.42 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.35 -24.58 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -108.45 178.88 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.91 110.31 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' HG11 ' A' ' 106' ' ' VAL . 34.5 mt -91.64 93.5 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -73.38 -37.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -143.17 135.46 27.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.2 p -124.3 129.99 51.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -138.59 125.94 21.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 83' ' ' VAL . 49.2 t -126.16 117.41 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.86 103.81 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 17.8 ptmt -76.13 -37.77 57.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 14.6 m-85 -42.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -67.77 -31.34 71.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.16 31.79 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 72' ' ' ARG . 54.5 p -137.59 156.82 47.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.92 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.9 m-85 -118.38 124.87 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG11 ' CD2' ' A' ' 92' ' ' LEU . 45.4 t -128.25 138.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -109.12 119.78 40.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.577 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -93.42 177.87 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.7 -73.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -98.89 -177.17 3.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.45 -16.62 60.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.12 -46.68 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.577 ' CB ' HD13 ' A' ' 108' ' ' LEU . 40.3 mt-30 -64.61 -34.46 78.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.75 -46.59 84.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -64.31 -46.08 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.71 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.71 -43.95 82.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.57 -40.31 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.08 -46.66 82.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 24.3 m -77.54 -48.75 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -60.31 -30.5 69.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 26.6 t-80 -70.62 168.62 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 8.6 pt20 42.29 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 122' ' ' HIS . 49.5 p -94.28 178.48 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -140.76 155.49 46.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.645 ' HB2' HD11 ' A' ' 131' ' ' LEU . 57.2 tp -150.86 135.12 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 39.55 41.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 65.28 53.89 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -153.22 145.97 24.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 32.3 tt0 -82.08 124.01 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 126' ' ' LEU . 40.1 mt -99.86 132.66 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -103.41 124.79 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.84 134.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.69 163.54 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 66' ' ' SER . 36.6 mt -66.07 142.35 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -81.23 139.2 48.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 120.34 7.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.6 p -63.36 147.43 51.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 t0 39.26 46.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.08 155.93 34.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 141' ' ' LEU . 0.3 OUTLIER -117.94 -41.05 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.1 tp -155.98 130.86 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 18.2 m -83.15 109.78 17.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 47.4 t -107.14 157.03 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.64 161.54 39.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -16.22 37.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -125.68 174.34 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.6 p -115.17 9.15 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.57 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.4 p -96.14 93.94 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.9 t -52.31 107.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.12 -55.66 4.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.6 t -52.21 157.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.839 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.5 p -73.42 133.78 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.97 147.69 5.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -137.83 157.21 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.4 tp -140.66 129.66 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 70' ' ' LEU . 63.5 mt -116.41 144.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.9 mtp85 -129.57 132.13 46.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.24 81.74 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 78' ' ' VAL . 55.3 mt -109.86 149.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 174.72 9.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.94 -19.04 79.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -99.72 3.7 45.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.704 HG13 ' O ' ' A' ' 78' ' ' VAL . 10.1 p -55.79 105.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -119.46 170.9 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.624 ' HA ' HG21 ' A' ' 97' ' ' VAL . 5.2 m-20 -55.47 -32.89 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -64.04 -34.75 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.81 -46.02 83.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 97' ' ' VAL . 24.0 m -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' SER . 18.6 m-70 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -60.96 -33.96 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 121' ' ' PHE . 47.1 tp -71.16 -31.85 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -118.41 28.87 8.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' HIS . 1.1 m -83.21 12.14 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.04 -23.53 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.29 -174.81 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.26 108.74 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.3 mt -90.51 96.2 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -78.15 -37.37 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -141.85 132.28 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.65 128.57 48.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 1.1 t80 -141.64 120.85 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 ' HA ' ' A' ' 80' ' ' ASN . 26.0 t -118.56 119.09 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 3.9 p30 -113.93 108.84 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -82.27 -34.57 28.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -49.31 -64.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -30.33 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.6 33.06 7.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 72' ' ' ARG . 58.2 p -137.72 171.85 13.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.18 129.65 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 70' ' ' LEU . 93.5 m-85 -115.66 124.21 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.89 142.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.8 m -113.0 115.59 28.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.3 mt -87.88 176.63 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 tp -70.67 -72.13 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -104.03 179.68 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.05 -21.43 63.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -59.86 -46.95 87.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.642 ' CB ' HD13 ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.4 -39.82 89.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.98 88.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.28 -43.34 82.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.13 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.839 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.66 -44.02 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.598 HD11 HG22 ' A' ' 69' ' ' ILE . 83.4 mt -66.65 -40.09 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.22 -45.82 75.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.8 m -79.63 -49.0 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.839 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -60.23 -27.18 66.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 56.0 t60 -68.58 158.63 33.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.5 pt20 45.9 27.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.3 p -97.06 172.95 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 -140.62 149.54 42.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.736 ' CB ' HD11 ' A' ' 131' ' ' LEU . 29.7 tp -142.13 145.84 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.7 mmt-85 38.51 38.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.7 44.84 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -144.06 146.21 32.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 9.4 tm-20 -81.18 123.68 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.736 HD11 ' CB ' ' A' ' 126' ' ' LEU . 12.4 mt -104.04 132.99 49.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -105.23 122.62 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.46 135.71 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -151.77 158.39 43.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.97 142.87 57.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -44.08 143.83 1.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 138' ' ' THR . 53.6 Cg_endo -69.81 96.31 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' PRO . 6.1 p -37.7 150.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 52.97 50.52 17.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.12 86.81 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.28 164.24 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.6 mt -57.03 -55.51 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 16.2 t -104.53 141.99 35.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.3 t -161.0 167.95 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.48 83.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.53 18.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.0 m -116.36 149.61 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.9 m -52.49 114.4 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m -64.37 103.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -86.8 145.78 26.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.29 124.75 3.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -143.67 112.1 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.6 p -98.32 175.39 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 133.94 6.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -128.23 158.86 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.154 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.876 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -140.71 123.77 16.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 133' ' ' VAL . 57.4 mt -112.7 141.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.2 mtp85 -126.05 132.43 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.2 79.31 1.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.22 151.49 39.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.507 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.3 Cg_endo -69.79 153.76 68.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -6.35 13.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -118.23 19.14 13.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG13 ' O ' ' A' ' 78' ' ' VAL . 11.8 p -68.57 117.96 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 82' ' ' GLU . 8.9 t -119.3 166.14 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.6 p30 -57.67 -37.37 73.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -59.22 -38.58 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 79' ' ' THR . 7.5 tp10 -64.0 -45.34 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG21 HG22 ' A' ' 97' ' ' VAL . 98.6 t -69.99 -40.03 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.64 ' CE1' ' SG ' ' A' ' 95' ' ' CYS . 13.1 m80 -65.87 -47.71 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.21 -31.35 72.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.08 -38.98 90.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.9 mt -113.81 34.65 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -80.14 10.01 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.97 -22.96 15.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -113.23 178.21 4.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.85 107.23 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' HG11 ' A' ' 106' ' ' VAL . 32.3 mt -86.91 91.91 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.4 t80 -151.93 132.05 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.64 ' SG ' ' CE1' ' A' ' 84' ' ' HIS . 14.9 t -126.01 129.36 49.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 43.4 t80 -133.58 132.67 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG21 ' A' ' 83' ' ' VAL . 20.0 t -124.63 119.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 34.5 t0 -115.82 102.27 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -74.05 -45.69 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -37.5 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -67.78 -28.95 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 30.14 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 72' ' ' ARG . 66.4 p -137.49 157.53 46.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.45 136.87 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.4 m-85 -120.86 125.2 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 92' ' ' LEU . 31.9 t -130.93 141.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -108.62 120.52 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.8 mt -95.44 175.08 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.49 -74.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -117.85 -178.38 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.21 -16.07 78.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.99 -49.18 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.485 ' CB ' HD13 ' A' ' 108' ' ' LEU . 87.6 mt-30 -68.84 -33.4 73.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.16 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.12 -45.05 95.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.33 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.38 -42.94 95.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 65.0 mt -68.04 -39.98 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.69 -46.93 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -78.49 -48.82 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -60.51 -28.75 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 47.3 t60 -71.01 161.26 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 9.9 pt20 46.17 26.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.9 p -98.49 169.23 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -137.84 152.09 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.4 tp -143.7 142.58 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 38.8 38.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 65.9 49.15 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.9 146.14 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 12.4 pt-20 -79.83 125.33 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.524 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.9 mt -103.76 133.06 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 m -110.14 121.04 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 71' ' ' ILE . 16.9 t -127.05 137.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.69 162.1 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.04 140.08 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -56.62 139.35 75.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.515 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 53.7 Cg_endo -69.77 110.76 2.64 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.4 m -55.28 -48.44 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 140' ' ' ALA . 1.7 m-20 -119.56 43.41 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HB2' ' CG ' ' A' ' 137' ' ' PRO . . . -34.08 -54.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tt -42.91 137.8 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.61 129.86 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 56.9 m 38.8 52.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.1 t -50.05 130.35 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.53 172.58 38.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' SER . 53.9 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' PRO . 13.7 t 35.92 43.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.4 m -89.25 140.28 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 m -100.12 -49.63 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.9 t -41.33 -50.13 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.3 142.15 3.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.517 ' HB3' HD22 ' A' ' 135' ' ' LEU . 36.3 t -98.32 140.01 33.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.2 p -86.01 -52.98 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . -47.02 160.0 0.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.447 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.8 pp -138.52 155.4 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 105' ' ' PHE . 9.6 tp -126.8 121.66 32.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 103' ' ' THR . 88.0 mt -109.31 144.97 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.625 ' HA ' HG22 ' A' ' 103' ' ' THR . 48.4 mtp85 -130.34 133.74 46.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.67 75.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 103' ' ' THR . 56.9 mt -104.01 154.39 38.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.43 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.3 Cg_endo -69.76 162.82 40.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.62 -7.49 65.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.06 19.09 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 78' ' ' VAL . 6.5 p -63.58 113.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -120.06 163.78 17.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.0 m120 -54.16 -31.3 52.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -66.14 -33.99 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.95 -45.16 90.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -69.37 -39.26 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -62.99 -48.04 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.61 -37.85 87.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 62.3 tp -63.49 -39.93 95.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.5 35.75 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -82.53 16.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -24.55 10.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.423 ' HB3' ' NE2' ' A' ' 113' ' ' GLN . 10.5 m-85 -108.89 175.61 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -82.51 108.92 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.09 91.42 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -69.65 -37.58 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -143.32 131.96 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 p -126.01 126.86 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -142.03 132.85 25.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 80' ' ' ASN . 83.1 t -124.55 117.84 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.07 94.08 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -65.51 -38.74 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -49.71 -58.41 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 103' ' ' THR . 35.1 mmtt -83.59 22.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 38.42 35.27 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 101' ' ' LYS . 78.8 p -138.13 168.88 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.93 131.09 21.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 70' ' ' LEU . 99.4 m-85 -109.49 124.04 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -128.68 141.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -116.38 117.44 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.1 mt -86.36 -179.77 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 -70.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -107.18 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.33 -26.75 50.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.67 -46.67 86.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' CB ' HD13 ' A' ' 108' ' ' LEU . 64.2 mt-30 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.61 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.4 -46.27 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.09 91.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.26 -43.7 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 95.5 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.33 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.8 m -79.25 -48.7 13.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.7 m-30 -63.66 -26.53 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 50.2 t60 -69.89 158.89 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 30.3 pt20 40.75 40.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -107.85 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -139.92 143.43 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.655 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.7 tp -139.69 119.33 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 57.58 45.56 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 60.4 48.17 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.61 147.68 32.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.5 tp10 -84.31 124.91 31.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.655 HD11 ' CB ' ' A' ' 126' ' ' LEU . 15.7 mt -103.8 132.85 49.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 138.57 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -140.26 130.98 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -150.84 166.35 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 66' ' ' SER . 27.7 mt -68.39 145.74 53.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.425 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 1.5 tt0 -82.0 139.47 46.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.533 0.682 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.87 38.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.5 m -78.72 138.93 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.71 47.9 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.29 146.15 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 141' ' ' LEU . 6.3 tt -78.37 117.86 20.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.15 -53.6 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' CYS . . . . . 0.456 ' C ' HD21 ' A' ' 141' ' ' LEU . 4.6 t -100.34 106.85 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.2 p -98.18 130.53 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.74 -102.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 87.97 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.6 m -141.74 160.75 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 97.9 p -38.89 132.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -75.66 169.82 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -171.67 166.88 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' HA3' ' A' ' 111' ' ' GLY . . . -160.1 159.91 31.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -121.69 126.67 49.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -50.59 -179.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.38 132.04 6.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 118' ' ' ILE . 2.0 pp -139.87 164.68 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.6 tp -138.2 125.97 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 133' ' ' VAL . 55.4 mt -114.02 141.49 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 103' ' ' THR . 28.2 mtp85 -122.43 132.57 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 79.3 1.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.8 mt -106.42 150.48 39.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.81 156.22 63.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.16 -17.97 56.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.51 13.69 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.7 p -66.01 108.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -118.16 170.53 8.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 m-20 -56.42 -31.03 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -65.1 -34.36 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -46.11 79.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' ASN . 27.5 m -70.0 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' N ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-70 -63.55 -48.16 78.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.49 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.57 -41.51 98.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 108' ' ' LEU . 14.0 mt -114.21 34.43 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -73.97 -48.44 30.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.82 -37.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.05 173.73 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -87.0 107.85 18.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.41 ' CD2' HG11 ' A' ' 106' ' ' VAL . 53.8 mt -79.49 94.32 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.2 mptp? -69.5 -43.04 73.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -139.48 133.02 30.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -118.53 129.83 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 11.5 t80 -142.05 121.05 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.6 t -121.82 118.22 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -117.12 100.89 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' TYR . 19.2 ptmt -74.8 -44.22 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 19.4 m-85 -37.14 -67.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.74 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.2 29.5 6.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 72' ' ' ARG . 47.9 p -135.12 163.03 30.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' ' 70' ' ' LEU . 97.9 m-85 -110.55 123.47 50.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 92' ' ' LEU . 28.2 t -132.5 132.68 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -104.08 112.94 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.6 mt -82.17 176.63 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD1' ' HE3' ' A' ' 93' ' ' LYS . 31.3 tp -51.36 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -136.24 -175.31 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' HA3' ' C ' ' A' ' 65' ' ' GLY . . . -67.9 -24.81 74.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 41.6 mm-40 -60.83 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.452 ' CB ' HD13 ' A' ' 108' ' ' LEU . 56.7 mt-30 -67.18 -33.8 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.01 -46.12 75.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.73 -46.95 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.706 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.47 -42.63 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.662 HD11 HG22 ' A' ' 69' ' ' ILE . 86.4 mt -67.09 -39.89 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -55.06 -47.64 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 56.8 m -79.21 -49.06 13.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.706 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -58.53 -29.98 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 35.8 t60 -71.04 159.29 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 5.6 pt20 49.54 28.32 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.3 p -100.3 170.78 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -138.33 145.51 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.57 ' CB ' HD11 ' A' ' 131' ' ' LEU . 21.5 tp -141.89 142.35 33.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 40.61 39.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 62.2 51.75 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.37 146.93 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.484 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 14.8 tp10 -79.73 125.37 29.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.1 mt -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.03 125.93 54.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 71' ' ' ILE . 38.3 t -128.88 135.65 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -151.11 165.75 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.17 139.77 40.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -54.62 151.27 15.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 133.92 26.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 139' ' ' ASP . 7.4 t -45.09 -42.8 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 138' ' ' THR . 32.2 t70 -131.61 118.11 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.74 ' C ' HD12 ' A' ' 141' ' ' LEU . . . -112.75 32.8 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.74 HD12 ' C ' ' A' ' 140' ' ' ALA . 7.0 mp -137.67 -176.79 4.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.37 144.34 45.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 10.7 m -128.38 175.33 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 t -141.73 153.94 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.431 ' N ' ' HD2' ' A' ' 146' ' ' PRO . . . -52.38 -62.09 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 145' ' ' GLY . 53.0 Cg_endo -69.79 -8.91 24.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.296 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 46.3 t -39.97 114.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 59.8 p 38.9 42.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -153.61 139.56 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -100.26 -55.32 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.56 57.52 1.34 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -65.26 117.79 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.7 p -108.35 155.46 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.89 149.43 6.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 118' ' ' ILE . 2.6 pp -134.61 160.09 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.5 tp -138.72 128.43 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.493 HG12 HG22 ' A' ' 133' ' ' VAL . 52.4 mt -116.7 141.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -123.59 134.02 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.56 74.0 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD22 HG21 ' A' ' 78' ' ' VAL . 42.0 mt -98.82 152.42 37.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.7 164.81 33.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.5 -15.93 73.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.47 18.31 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 78' ' ' VAL . 7.5 p -62.84 110.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.52 165.34 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.6 p30 -53.92 -31.09 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.07 -34.0 77.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.99 -46.03 86.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 11.7 m -69.79 -39.11 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -63.78 -47.96 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.85 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.499 HD11 ' CE1' ' A' ' 121' ' ' PHE . 60.0 tp -62.83 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.48 ' CB ' HD21 ' A' ' 92' ' ' LEU . 15.6 mt -109.27 33.69 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.7 t -81.15 11.86 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.79 -20.65 12.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -113.63 178.99 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.5 mp0 -83.57 106.97 15.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 87' ' ' LEU . 30.3 mt -86.56 87.86 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -59.12 -45.6 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 30.4 t80 -150.07 134.36 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.58 130.03 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 31.1 t80 -133.2 131.92 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 80' ' ' ASN . 90.2 t -126.11 123.88 64.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -116.98 105.56 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.0 ptpp? -81.13 -24.76 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.482 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 2.0 m-85 -63.51 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -70.68 -30.15 66.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 74' ' ' LEU . . . 93.14 28.34 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 74' ' ' LEU . 40.6 p -134.53 156.95 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.092 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.67 129.09 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -110.81 124.31 51.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG11 HD13 ' A' ' 87' ' ' LEU . 46.1 t -124.53 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.3 m -110.62 116.45 31.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 91' ' ' GLU . 11.8 mt -94.16 175.2 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.22 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 113' ' ' GLN . 22.4 p30 -118.01 -178.83 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.36 -25.88 56.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.65 -47.97 82.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.579 ' CB ' HD13 ' A' ' 108' ' ' LEU . 16.0 mt-30 -62.36 -37.6 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.43 82.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.05 -45.91 90.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.45 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.892 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.29 -43.69 81.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.831 HD11 HG22 ' A' ' 69' ' ' ILE . 85.2 mt -66.01 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.25 -47.14 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.2 m -78.12 -49.01 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.892 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.08 -27.6 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 21.0 t-80 -69.55 167.66 16.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 14.5 pt20 43.57 25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 60.0 p -95.06 174.43 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 mtm-85 -136.68 152.27 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.482 ' CB ' HD11 ' A' ' 131' ' ' LEU . 45.4 tp -149.34 121.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 52.97 47.31 24.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 57.75 51.16 9.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 140.68 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 4.5 pm0 -80.13 134.43 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.6 mt -112.57 132.68 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -109.71 120.01 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 71' ' ' ILE . 43.0 t -123.77 138.67 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.21 163.56 39.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.83 143.04 58.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.61 151.88 69.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.75 133.58 25.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.5 t -54.85 -31.01 58.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -132.96 110.37 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -131.86 38.5 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.45 137.77 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 tt -84.71 110.33 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 10.8 m -144.35 178.36 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 t -154.83 160.2 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.76 173.99 32.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.05 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 95.1 p -64.7 142.19 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 149' ' ' GLY . 75.5 m -60.92 112.36 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 148' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -86.25 86.2 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.2 t -69.67 154.63 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.64 145.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' SER . 3.4 m -144.75 130.88 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 114' ' ' ALA . 70.7 m -36.55 -57.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -36.48 137.04 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.643 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -121.1 161.31 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -130.5 133.96 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.3 mt -129.03 140.9 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 103' ' ' THR . 44.6 mtt180 -130.82 133.36 45.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.6 70.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 103' ' ' THR . 36.8 mt -97.48 152.55 38.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.4 Cg_endo -69.79 168.18 22.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.69 -6.0 75.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.15 25.17 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 78' ' ' VAL . 12.3 p -71.55 115.82 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -119.95 161.1 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' HA ' HG21 ' A' ' 97' ' ' VAL . 7.1 p30 -54.21 -31.98 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -65.82 -33.98 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.29 -45.88 86.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 97' ' ' VAL . 16.3 m -69.43 -43.81 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 83' ' ' VAL . 13.9 m-70 -59.42 -48.0 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.87 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.95 -40.82 98.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 117' ' ' ALA . 13.5 mt -113.17 34.55 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 p -74.74 -46.46 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -38.85 -40.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.61 177.54 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.58 106.99 18.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 106' ' ' VAL . 38.5 mt -83.53 95.85 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -73.41 -29.32 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 95' ' ' CYS . 4.5 t80 -162.02 131.77 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 36.8 t -126.06 130.05 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 71.1 t80 -132.15 121.06 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 80' ' ' ASN . 94.8 t -119.34 118.34 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -116.62 95.59 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 19.4 ptmt -66.82 -42.56 85.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.481 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.2 m-85 -35.6 -65.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -71.72 -31.83 67.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.7 28.94 8.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 74' ' ' LEU . 66.6 p -133.59 164.21 27.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.37 136.04 43.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.6 m-85 -124.37 123.37 40.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 92' ' ' LEU . 34.1 t -130.02 147.44 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -115.47 116.21 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 113' ' ' GLN . 12.8 mt -87.69 -178.97 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.2 -69.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -116.44 -176.95 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.61 -18.83 74.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 4.4 pt-20 -65.06 -43.81 91.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.514 ' CB ' HD13 ' A' ' 108' ' ' LEU . 20.9 mt-30 -69.36 -33.21 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -67.54 -44.95 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.85 -46.11 91.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.58 96.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.94 -43.39 83.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.643 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.03 -39.86 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -57.11 -45.81 83.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.4 m -78.6 -49.12 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -59.55 -31.8 69.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 42.7 t60 -66.01 156.69 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.6 pt20 47.71 33.77 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.5 p -103.4 171.24 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -140.41 150.77 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.637 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.6 tp -145.29 125.65 13.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 127' ' ' ARG . 11.6 mtp-105 52.65 44.6 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 60.63 51.96 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.54 146.73 28.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 1.2 tm-20 -83.42 121.03 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.637 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.0 mt -101.38 132.93 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.11 135.0 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 71' ' ' ILE . 38.7 t -143.68 130.9 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -154.56 166.63 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.45 145.15 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -53.08 151.0 9.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.36 62.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 65.8 m -50.96 -53.42 33.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.35 96.4 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.97 -54.15 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -72.77 116.41 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 tp -111.89 146.93 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.77 133.62 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 145' ' ' GLY . 14.2 t -103.08 -53.23 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 144' ' ' SER . . . -36.91 146.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -49.55 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.8 m -154.8 105.98 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.8 m -54.38 156.27 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -38.38 143.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -139.0 120.41 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.59 109.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.8 p -129.36 130.28 45.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -97.41 -44.52 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.94 149.54 0.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -127.12 161.82 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD13 ' CE2' ' A' ' 105' ' ' PHE . 8.5 tp -136.49 128.4 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.4 mt -120.62 144.97 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HA ' HG22 ' A' ' 103' ' ' THR . 61.0 mtt180 -133.86 138.06 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.78 67.36 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.02 152.55 37.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.45 12.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -17.08 80.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -106.83 15.49 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 78' ' ' VAL . 11.7 p -62.67 111.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -119.09 166.03 13.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.477 ' O ' HG22 ' A' ' 83' ' ' VAL . 28.7 m-80 -54.06 -31.09 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.32 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.03 -45.94 86.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.4 m -68.69 -39.04 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.8 -48.03 78.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -63.48 -37.04 85.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.7 tp -64.16 -41.73 97.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -111.87 36.12 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -82.98 17.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -109.46 -26.36 10.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -105.75 -179.7 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.0 109.48 18.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.3 mt -88.96 95.5 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -77.06 -31.68 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 5.9 t80 -150.08 131.97 15.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.4 p -125.82 129.8 50.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 81.3 t80 -137.51 134.44 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 80' ' ' ASN . 79.6 t -134.51 118.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -116.63 101.19 8.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -70.15 -40.41 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -43.14 -65.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.31 31.43 7.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 72' ' ' ARG . 60.8 p -135.27 169.31 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.19 130.19 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 70' ' ' LEU . 96.3 m-85 -116.23 123.89 48.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.93 146.4 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.0 m -116.36 117.01 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.491 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.4 mt -91.27 176.24 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 110' ' ' ASN . 51.1 tp -62.0 -71.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.42 ' CG ' ' HG ' ' A' ' 109' ' ' LEU . 9.4 m-80 -115.57 -175.94 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.75 -12.55 84.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 5.3 pt-20 -68.75 -45.97 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.491 ' OE1' HD22 ' A' ' 108' ' ' LEU . 55.3 mt-30 -69.83 -36.14 75.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.81 -46.34 85.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -61.02 -45.81 93.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.6 98.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.564 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.1 -43.57 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -67.71 -39.96 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -56.83 -47.17 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 60.8 m -78.16 -48.93 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.564 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.27 -27.66 68.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 62.6 t60 -70.52 162.12 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 20.4 pt20 42.71 29.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 176.23 5.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 125' ' ' ARG . 26.3 mtm105 -142.24 151.25 41.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.667 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.9 tp -146.56 127.06 14.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 53.66 40.91 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 62.48 53.14 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -151.64 144.95 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.9 tp10 -80.6 124.19 28.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.667 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.9 mt -103.82 130.59 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -103.34 128.29 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 118' ' ' ILE . 48.6 t -130.58 134.2 62.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -154.1 164.94 37.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.21 144.09 53.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -88.5 139.08 29.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.4 Cg_endo -69.77 132.1 22.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.304 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 27.5 m -65.8 138.9 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 40.61 41.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.496 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -37.14 -48.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.69 170.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 tp -122.87 109.58 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 50.2 t -46.5 149.08 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.5 t -63.87 127.92 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 111.0 66.02 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.7 t -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 63.7 m -128.24 42.12 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.6 m -77.05 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.2 p -149.21 168.13 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.77 -52.37 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 p -60.05 147.75 38.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -41.58 152.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.15 145.15 4.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -137.7 162.23 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.8 tp -141.04 127.43 19.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 133' ' ' VAL . 67.0 mt -117.92 145.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HA ' HG22 ' A' ' 103' ' ' THR . 70.8 mtt180 -133.67 131.92 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.11 68.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 78' ' ' VAL . 37.9 mt -92.59 152.84 42.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.2 Cg_endo -69.78 165.61 30.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -14.29 72.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -112.24 22.03 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.9 p -68.62 117.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 t -119.77 159.0 25.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 0.8 OUTLIER -54.03 -31.14 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -66.69 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -64.58 -45.74 85.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.8 m -69.66 -39.33 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.23 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.95 -37.36 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.674 HD21 ' HB1' ' A' ' 117' ' ' ALA . 14.7 mt -114.67 30.36 7.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 p -73.76 -43.79 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -41.56 -41.3 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.7 m-85 -87.59 177.05 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -87.38 108.6 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 106' ' ' VAL . 64.4 mt -85.24 95.77 9.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -76.88 -37.74 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 15.5 t80 -138.32 131.95 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 63.1 t80 -142.07 121.14 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.7 t -124.0 118.34 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' C ' ' OD1' ' A' ' 98' ' ' ASP . 29.0 t0 -116.93 96.06 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -67.97 -41.22 82.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.95 -68.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -67.39 -37.79 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.01 28.54 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.7 p -132.4 170.23 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.16 129.25 20.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.3 m-85 -111.35 124.55 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 92' ' ' LEU . 49.0 t -132.89 132.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.3 m -106.19 118.98 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.1 mt -86.29 179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.16 -62.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.28 177.8 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.65 -31.37 33.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.29 -44.04 88.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.666 ' CB ' HD13 ' A' ' 108' ' ' LEU . 30.6 mt-30 -62.29 -37.68 86.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -68.01 -45.93 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.1 -46.8 88.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.62 93.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.864 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.2 -44.13 92.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.577 HG23 HG12 ' A' ' 133' ' ' VAL . 96.8 mt -67.58 -39.72 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.29 -42.35 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 m -79.51 -49.12 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.864 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.7 -34.19 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 44.3 t60 -65.45 159.72 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 7.4 pt20 48.4 28.55 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 p -105.76 166.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CA ' HD12 ' A' ' 131' ' ' LEU . 57.1 mtt180 -139.21 145.64 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.525 ' CB ' HD11 ' A' ' 131' ' ' LEU . 22.8 tp -140.06 121.25 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 26.4 mmt180 60.4 54.65 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 127' ' ' ARG . 6.9 pt-20 47.89 42.21 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -133.6 149.96 51.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 33.4 tt0 -85.29 125.26 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.4 mt -106.73 132.99 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -113.08 120.13 40.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.577 HG12 HG23 ' A' ' 118' ' ' ILE . 48.4 t -124.08 138.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.469 ' CG ' HD23 ' A' ' 70' ' ' LEU . 6.1 pt20 -155.36 162.27 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 118' ' ' ILE . 27.3 mt -61.77 144.75 54.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 139.68 67.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 53.8 Cg_endo -69.75 157.64 59.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.34 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 28.3 m -97.62 -45.01 6.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -119.16 41.21 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 137' ' ' PRO . . . -44.78 -50.63 10.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 mt -47.0 121.82 3.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.21 105.57 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 20.0 p -156.21 137.03 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 62.9 p -68.99 147.87 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 157.01 79.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.07 36.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.6 t -132.85 89.44 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.8 t -74.29 92.57 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p 41.1 42.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -139.16 157.7 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.26 58.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -118.73 38.92 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 114' ' ' ALA . 77.8 p -57.63 -12.75 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.34 153.88 52.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -139.3 158.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 105' ' ' PHE . 7.9 tp -136.86 124.53 22.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.29 144.0 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.1 mtp85 -129.92 132.03 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.3 80.33 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 78' ' ' VAL . 79.1 mt -106.64 151.68 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 54.2 Cg_endo -69.78 156.75 62.47 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.75 -12.68 48.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.72 18.84 18.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 78' ' ' VAL . 14.3 p -67.89 113.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 164.22 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.491 ' HA ' HG21 ' A' ' 97' ' ' VAL . 66.8 m-80 -56.28 -31.08 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -66.78 -35.84 81.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -65.42 -46.04 81.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 97' ' ' VAL . 28.4 m -70.03 -40.39 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.48 -48.11 81.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.3 -37.18 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.76 -41.97 98.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -114.5 30.46 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 p -72.88 -48.7 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.47 -41.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -87.54 177.11 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -87.22 109.64 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 106' ' ' VAL . 60.5 mt -86.12 93.45 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -74.67 -37.94 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -137.39 132.68 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.22 129.05 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 22.9 t80 -141.98 121.38 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 80' ' ' ASN . 52.2 t -122.8 117.43 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 96' ' ' PHE . 13.8 t70 -116.7 94.03 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.1 ptmm? -65.9 -45.91 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 8.5 m-85 -35.22 -68.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -37.51 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.04 34.53 4.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 72' ' ' ARG . 64.5 p -135.9 168.06 20.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 111.158 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.01 129.58 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.0 m-85 -112.12 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 92' ' ' LEU . 38.6 t -132.98 135.77 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 m -109.21 121.43 45.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.779 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.7 mt -87.46 177.59 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.1 -63.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -108.78 -174.65 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.39 -27.56 27.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.89 -40.88 85.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.779 ' CB ' HD13 ' A' ' 108' ' ' LEU . 72.2 mt-30 -66.27 -37.96 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -64.78 -46.26 82.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.39 -46.53 89.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.68 85.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.59 -43.1 94.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 89.9 mt -67.02 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.33 -47.57 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.0 m -76.95 -48.96 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.62 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 11.0 m-30 -61.52 -29.02 69.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 39.3 t60 -66.87 157.28 33.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 16.5 pt20 45.27 28.87 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -96.81 171.34 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -142.02 151.68 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.504 HD21 ' HG3' ' A' ' 75' ' ' PRO . 14.2 tp -145.5 128.01 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 48.59 44.38 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 61.37 53.91 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -148.85 142.9 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.01 121.2 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.3 mt -100.94 131.71 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -104.8 137.66 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.57 130.97 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -155.98 161.02 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.58 142.88 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -45.85 141.73 4.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 124.71 11.37 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -46.06 144.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.14 43.45 30.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.64 -44.35 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -89.07 149.77 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.31 -41.56 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 11.5 t -62.37 86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 18.3 m -130.18 125.87 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.21 144.79 36.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 87.09 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.209 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.1 p -164.15 153.45 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.1 t -81.94 153.63 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 p -70.29 171.8 9.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -86.49 96.4 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.85 142.0 27.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 m -131.86 179.87 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.4 p -55.93 169.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . 90.95 131.39 4.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.959 HD11 ' HB ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -131.4 151.98 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 5.9 tp -127.47 127.46 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 51.5 mt -117.3 133.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.754 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.7 mtm180 -115.24 138.1 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' ' NH2' ' A' ' 129' ' ' ARG . . . 85.73 80.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -115.28 148.3 40.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.611 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.5 Cg_endo -69.77 157.31 60.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.82 0.01 16.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.558 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -114.96 2.86 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 75' ' ' PRO . 9.8 p -60.76 113.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -119.83 169.37 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.5 m120 -55.64 -31.16 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.37 -46.48 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -70.27 -38.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 95' ' ' CYS . 10.7 m80 -64.7 -48.07 76.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -61.81 -39.27 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.74 -34.14 77.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.81 33.05 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -81.07 4.68 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.72 -24.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -109.74 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.96 109.6 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' CD2' HG11 ' A' ' 106' ' ' VAL . 30.5 mt -90.37 90.64 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -70.84 -34.96 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 106' ' ' VAL . 15.5 t80 -155.89 132.0 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.404 ' HB3' ' CE1' ' A' ' 84' ' ' HIS . 2.2 t -125.94 129.59 49.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -129.37 123.87 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.4 HG21 ' HA ' ' A' ' 80' ' ' ASN . 40.5 t -117.12 118.53 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' HG3' ' A' ' 101' ' ' LYS . 6.7 t0 -117.03 95.66 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -66.76 -26.97 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.72 -55.64 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 15.1 mttt -72.73 -14.9 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.32 20.06 79.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.754 HG22 ' HA ' ' A' ' 72' ' ' ARG . 82.4 p -135.45 160.76 37.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.09 132.2 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.672 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 94.9 m-85 -117.14 127.14 53.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.959 ' HB ' HD11 ' A' ' 69' ' ' ILE . 98.2 t -130.81 149.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m -113.8 117.81 32.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.643 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -94.07 177.0 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.87 -74.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -102.99 179.05 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.41 -20.93 68.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.643 ' CB ' HD13 ' A' ' 108' ' ' LEU . 82.2 mt-30 -65.49 -32.31 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.84 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.27 -44.74 90.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.9 94.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.2 -43.22 78.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.543 ' CD1' HD23 ' A' ' 135' ' ' LEU . 91.4 mt -67.77 -40.03 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.43 -45.97 76.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.2 m -80.04 -48.99 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 8.7 m-30 -61.14 -26.23 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.3 t60 -70.88 164.69 24.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.5 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 2.5 pp0? 34.24 33.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.4 p -97.59 178.0 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -140.16 147.69 40.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.693 ' CB ' HD11 ' A' ' 131' ' ' LEU . 19.4 tp -142.03 124.83 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 49.6 44.17 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 62.9 51.3 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.471 ' NH2' ' C ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -149.8 145.04 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -80.02 126.36 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 126' ' ' LEU . 28.7 mt -105.73 130.02 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -104.14 120.43 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.45 HG21 ' C ' ' A' ' 121' ' ' PHE . 21.2 t -119.7 141.16 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.99 160.15 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 118' ' ' ILE . 48.1 mt -64.53 143.34 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.2 tt0 -86.72 139.04 33.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.4 Cg_endo -69.8 105.16 1.44 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 137' ' ' PRO . 66.8 p -36.96 -64.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 140' ' ' ALA . 11.9 p-10 -80.68 -52.51 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 139' ' ' ASP . . . 69.84 28.81 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 tp -96.41 -50.93 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 59.0 mt -122.36 148.56 44.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 30.8 p -120.69 44.42 2.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.4 m -136.51 121.84 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 161.43 146.51 4.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 147.48 62.71 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.26 . . . . 0.0 112.289 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.7 m -108.35 -60.4 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.9 p -121.85 112.42 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.43 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.772 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -133.86 164.4 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 105' ' ' PHE . 11.2 tp -138.64 123.08 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.0 mt -111.17 125.02 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 103' ' ' THR . 22.4 mtt180 -113.25 132.91 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 77.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.531 HD11 ' C ' ' A' ' 103' ' ' THR . 44.5 mt -109.57 152.49 42.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.553 0.692 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.43 42.09 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -11.99 64.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.04 19.88 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 78' ' ' VAL . 9.6 p -67.03 113.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -119.89 164.41 16.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 p-10 -54.03 -35.24 61.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -62.08 -34.12 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.27 -45.95 85.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.1 m -69.87 -39.06 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -61.93 -45.66 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -66.12 -37.97 87.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 67.2 tp -61.12 -41.95 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.1 mt -109.01 35.3 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -81.11 14.38 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.34 -23.79 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.489 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.3 m-85 -109.56 177.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -84.49 109.34 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.38 93.27 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -72.31 -39.39 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 19.2 t80 -142.13 133.18 26.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 p -123.61 129.09 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 18.1 t80 -138.42 133.49 32.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 77.3 t -133.73 117.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 34.7 t0 -116.95 98.26 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -67.92 -41.3 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.96 -67.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -69.54 -38.8 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.68 34.8 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.531 ' C ' HD11 ' A' ' 74' ' ' LEU . 52.2 p -136.84 168.94 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.0 129.54 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.9 m-85 -112.3 124.41 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.76 135.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -111.07 115.44 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 91' ' ' GLU . 8.6 mt -87.41 -179.31 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.94 -67.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -105.25 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.76 -26.91 33.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.42 -46.41 86.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.48 ' C ' HD13 ' A' ' 108' ' ' LEU . 40.0 mt-30 -66.47 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.85 -43.55 79.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.17 -44.78 94.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.35 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.6 -44.0 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 69' ' ' ILE . 77.4 mt -67.96 -40.04 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -58.87 -44.83 91.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -78.17 -49.02 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.6 m-30 -61.98 -30.81 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 37.8 t60 -68.99 156.13 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 4.0 pt20 45.29 31.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.9 p -98.75 174.67 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -139.37 148.36 42.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.445 ' CB ' HD11 ' A' ' 131' ' ' LEU . 11.4 tp -145.59 116.16 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 61.15 47.48 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 58.84 54.9 4.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -152.48 151.36 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 47.6 tt0 -89.68 128.33 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.5 mt -106.97 132.96 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 m -108.9 127.69 54.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.1 139.42 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -155.86 161.61 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.12 143.31 55.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -122.55 160.94 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.9 tp -137.51 124.94 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.84 144.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HA ' HG22 ' A' ' 103' ' ' THR . 23.2 mtp85 -129.45 132.87 47.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.467 ' O ' ' CZ ' ' A' ' 129' ' ' ARG . . . 90.82 78.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 78' ' ' VAL . 59.6 mt -114.08 149.28 41.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.75 168.73 20.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.13 -15.09 78.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -102.93 6.14 38.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 75' ' ' PRO . 7.2 p -59.06 112.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -119.96 170.26 9.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.501 ' HA ' HG21 ' A' ' 97' ' ' VAL . 14.6 t-20 -57.19 -31.81 65.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -62.36 -34.07 75.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.19 -46.02 85.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 80' ' ' ASN . 14.5 m -69.99 -39.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.49 -47.97 76.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.01 -37.5 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 68.1 tp -64.99 -38.63 91.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.66 34.14 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -82.36 15.21 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -108.51 -18.05 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.5 ' HB2' HD21 ' A' ' 108' ' ' LEU . 15.8 m-85 -115.5 176.31 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.34 108.18 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.8 mt -85.59 94.55 9.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -38.34 62.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.0 t80 -141.09 134.06 29.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.51 129.76 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 48.4 t80 -141.71 128.16 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 80' ' ' ASN . 43.3 t -129.48 119.93 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 10.6 t0 -116.9 102.43 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 15.3 ptmt -72.22 -39.57 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.456 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.6 m-85 -43.39 -69.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -67.54 -33.24 74.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.42 33.29 6.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 72' ' ' ARG . 65.4 p -136.45 162.36 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.96 43.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 70' ' ' LEU . 96.9 m-85 -115.54 124.79 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.19 138.16 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.9 m -114.04 115.39 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.73 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.2 mt -86.93 179.93 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -71.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.91 -177.05 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.79 -20.41 61.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.54 -47.38 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.73 ' OE1' HD22 ' A' ' 108' ' ' LEU . 79.4 mt-30 -64.71 -34.33 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.24 -46.6 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.98 -46.05 89.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.35 97.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.37 -43.92 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.3 mt -67.27 -40.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -57.28 -46.75 82.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.9 m -77.54 -48.64 16.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.9 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.9 t60 -70.94 167.41 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.66 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 122' ' ' HIS . 24.6 p -101.35 171.5 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -136.74 148.12 47.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.656 ' CB ' HD11 ' A' ' 131' ' ' LEU . 14.5 tp -140.04 135.19 32.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 41.97 44.48 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 62.83 54.18 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -153.39 143.74 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.95 128.65 33.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.4 mt -108.71 130.78 55.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -104.8 123.86 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.16 140.78 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.73 161.66 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 118' ' ' ILE . 33.3 mt -65.08 141.37 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.909 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.523 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -129.74 161.01 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 105' ' ' PHE . 6.9 tp -136.66 121.51 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.78 143.08 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -126.58 133.07 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.43 ' O ' ' NH1' ' A' ' 129' ' ' ARG . . . 89.64 81.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.9 mt -113.27 150.28 42.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.77 164.95 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.0 -5.5 61.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.25 18.66 13.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 78' ' ' VAL . 13.5 p -67.84 114.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.34 163.37 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.505 ' HA ' HG21 ' A' ' 97' ' ' VAL . 4.0 p-10 -54.14 -35.31 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -60.13 -36.3 77.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.98 -44.76 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.408 ' ND1' HD13 ' A' ' 92' ' ' LEU . 20.8 m-70 -62.51 -48.02 81.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.56 -37.4 86.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.58 -38.96 92.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 117' ' ' ALA . 14.4 mt -112.94 34.26 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -82.82 17.57 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.07 -23.74 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.44 178.22 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.65 107.83 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.408 HD13 ' ND1' ' A' ' 84' ' ' HIS . 44.5 mt -86.36 94.35 9.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -72.03 -35.1 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 36.0 t80 -149.43 132.06 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.05 129.62 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 53.1 t80 -141.49 126.66 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 80' ' ' ASN . 68.8 t -127.18 120.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -115.87 95.51 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -33.04 74.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.21 -54.78 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.712 ' O ' HG23 ' A' ' 103' ' ' THR . 22.6 mmtp -81.1 10.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.38 23.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 101' ' ' LYS . 42.7 p -139.68 165.95 25.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.54 129.62 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 70' ' ' LEU . 65.7 m-85 -110.29 126.7 54.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.89 138.26 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.6 m -108.21 113.08 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.486 HD22 ' OE1' ' A' ' 113' ' ' GLN . 12.9 mt -85.15 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.68 -67.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -120.42 -177.89 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.68 -24.63 74.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.94 -43.0 99.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.486 ' OE1' HD22 ' A' ' 108' ' ' LEU . 84.6 mt-30 -68.8 -32.48 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.23 -46.31 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.7 -46.26 90.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.8 93.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.776 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.39 -43.03 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 75.1 mt -67.84 -40.17 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.05 -44.26 82.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.9 m -79.6 -49.0 12.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.776 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.4 m-30 -61.81 -27.72 68.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.3 t-80 -70.15 167.38 17.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.1 pt20 43.66 25.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.4 p -93.86 170.38 9.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -142.43 145.79 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 131' ' ' LEU . 24.4 tp -139.51 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.432 ' CD ' ' HB3' ' A' ' 75' ' ' PRO . 40.0 mtp85 38.95 36.82 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 67.09 45.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -142.94 152.07 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 44.5 tt0 -84.21 123.28 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.6 mt -100.45 130.14 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -105.1 127.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.4 135.31 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -149.61 166.85 28.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.57 144.72 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -134.48 153.14 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.7 tp -136.14 125.79 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.2 mt -117.4 143.61 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.4 mtp-105 -126.5 137.15 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 86.04 81.91 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 78' ' ' VAL . 67.8 mt -108.51 150.12 40.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.27 3.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.93 -15.14 78.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.21 11.15 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.9 p -60.94 107.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 168.19 11.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.486 ' HA ' HG21 ' A' ' 97' ' ' VAL . 13.8 m-80 -54.07 -32.38 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -64.98 -33.95 77.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.97 -45.5 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.3 m -69.9 -41.38 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.7 m-70 -62.14 -47.97 82.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.59 -32.83 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.62 -41.99 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 117' ' ' ALA . 12.7 mt -113.17 36.6 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' TYR . 59.3 p -74.37 -48.07 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.8 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.72 -41.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' SER . 15.8 m-85 -89.27 177.16 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.64 107.26 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 84' ' ' HIS . 67.3 mt -79.42 96.12 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -75.98 -38.74 57.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 10.1 t80 -138.77 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 18.1 p -122.06 128.78 51.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 59.8 t80 -141.7 121.53 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 80' ' ' ASN . 82.8 t -123.29 117.57 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -116.73 94.72 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -66.84 -46.35 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.8 m-85 -34.37 -67.62 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -67.64 -34.21 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 29.56 7.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 72' ' ' ARG . 43.7 p -137.76 169.24 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.67 135.09 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.5 m-85 -115.51 125.62 53.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.96 140.7 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -111.13 115.82 30.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.6 mt -84.18 178.62 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.31 -63.19 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -105.59 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.51 -29.92 38.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.92 -42.41 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.663 ' CB ' HD13 ' A' ' 108' ' ' LEU . 77.1 mt-30 -61.06 -38.38 86.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.11 -46.86 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.2 -45.72 92.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.718 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.26 -43.92 89.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 85.8 mt -67.88 -40.8 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.18 -45.59 83.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.3 m -77.62 -49.11 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.718 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.7 m-30 -63.62 -23.52 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 20.4 t-80 -71.04 167.38 19.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.0 pt20 43.75 25.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p -95.66 169.31 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.94 153.03 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 131' ' ' LEU . 61.6 tp -147.92 132.77 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 48.76 42.88 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 58.79 45.72 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -138.64 145.59 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.98 124.93 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.634 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.7 mt -109.46 132.98 53.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.4 122.81 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -126.74 136.41 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.05 161.48 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.09 146.01 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 179.898 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.502 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -134.18 160.04 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' A' ' 105' ' ' PHE . 6.7 tp -137.32 125.54 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.7 mt -114.7 142.39 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HA ' HG22 ' A' ' 103' ' ' THR . 46.6 mtt180 -133.89 132.03 39.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.52 68.84 1.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 HG21 ' A' ' 71' ' ' ILE . 26.8 mt -102.49 151.8 38.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.75 176.19 7.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -17.64 77.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.78 9.24 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.616 ' O ' HG13 ' A' ' 78' ' ' VAL . 10.2 p -59.61 108.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -119.94 168.69 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HA ' HG21 ' A' ' 97' ' ' VAL . 34.3 t30 -54.15 -33.75 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.08 -38.98 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.92 -45.0 91.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.586 HG21 HG22 ' A' ' 97' ' ' VAL . 87.1 t -69.99 -38.93 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.78 -46.7 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -64.64 -38.99 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.98 -38.72 79.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.04 34.55 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -80.59 11.85 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -108.35 -21.32 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -111.08 170.7 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -77.35 107.24 9.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.64 93.37 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 93' ' ' LYS . 1.4 mmpt? -69.37 -41.81 76.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -143.54 132.95 23.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.99 130.01 55.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 28.0 t80 -141.67 134.24 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.586 HG22 HG21 ' A' ' 83' ' ' VAL . 56.1 t -135.29 118.46 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 102.83 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 10.0 ptpt -73.62 -44.72 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.471 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 11.5 m-85 -36.14 -68.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -68.79 -35.46 77.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 28.22 7.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 72' ' ' ARG . 59.4 p -129.75 165.74 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -138.84 130.39 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -116.76 124.6 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.97 131.83 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -104.25 112.99 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -85.85 -179.02 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.45 -71.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -120.36 179.19 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.97 -23.2 74.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.453 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 4.6 mp0 -58.02 -48.48 79.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.422 ' CB ' HD13 ' A' ' 108' ' ' LEU . 24.1 mt-30 -70.97 -34.12 71.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.1 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -63.51 -46.38 86.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.17 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -69.26 -44.04 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.502 HD11 HG22 ' A' ' 69' ' ' ILE . 84.7 mt -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.34 -47.83 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.8 m -78.22 -49.01 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -59.13 -29.28 67.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 62.3 t60 -70.21 161.56 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.1 pt20 45.57 28.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.8 p -98.53 171.15 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -142.82 151.67 41.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.468 ' CB ' HD11 ' A' ' 131' ' ' LEU . 13.4 tp -143.67 146.77 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 126' ' ' LEU . 23.8 mmt85 36.25 40.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 63.44 53.67 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.4 146.13 28.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 38.8 tt0 -80.23 124.27 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 126' ' ' LEU . 6.7 mt -106.83 129.88 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -105.28 124.68 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.5 132.82 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -154.47 159.68 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.59 141.25 57.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 179.968 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.415 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -117.71 159.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 12.3 tp -132.55 132.81 42.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -108.89 145.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.568 ' HA ' HG22 ' A' ' 103' ' ' THR . 21.0 mmm-85 -123.28 139.96 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.89 81.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.582 HD11 ' C ' ' A' ' 103' ' ' THR . 83.8 mt -100.85 150.49 37.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.73 58.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.82 21.84 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.7 p -65.67 111.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 81' ' ' GLN . 13.1 t -120.06 166.26 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.1 m-20 -53.91 -32.7 54.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 79' ' ' THR . 15.1 tp60 -63.27 -38.48 91.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -64.25 -44.36 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 97' ' ' VAL . 93.1 t -70.02 -38.96 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -63.19 -47.88 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 -37.16 86.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.0 tp -60.47 -41.9 95.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.32 36.48 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -83.48 18.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.49 -26.32 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.5 -179.64 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -83.83 107.41 16.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 106' ' ' VAL . 42.2 mt -87.94 94.4 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -77.71 -35.67 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -142.34 131.93 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.1 p -126.01 130.13 50.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -139.06 133.2 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 83' ' ' VAL . 83.6 t -126.66 126.21 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -116.96 109.28 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.9 ptpp? -83.63 -29.96 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 m-85 -59.96 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 34.33 7.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.582 ' C ' HD11 ' A' ' 74' ' ' LEU . 74.6 p -137.92 168.58 19.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.2 130.24 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.762 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 87.1 m-85 -112.48 124.12 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 92' ' ' LEU . 61.2 t -132.3 136.8 55.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -105.26 113.09 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.0 mt -83.87 -178.88 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.3 tp -81.71 -62.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -105.39 177.56 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.68 29.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.44 -42.43 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.575 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.0 mt-30 -60.52 -33.77 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.58 72.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.79 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.09 -43.48 87.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 135' ' ' LEU . 97.0 mt -67.68 -39.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -58.47 -46.59 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -77.61 -49.12 15.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.636 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.0 m-30 -59.26 -35.13 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.7 t-80 -65.81 167.37 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.5 pt20 43.81 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.5 p -97.61 172.35 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -141.21 154.9 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 131' ' ' LEU . 10.9 tp -151.89 127.32 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 55.77 37.71 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.42 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD2' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -149.68 146.28 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.66 122.52 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 126' ' ' LEU . 7.0 mt -98.05 133.05 43.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -106.72 142.96 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.1 t -142.34 138.94 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.1 pm0 -148.05 160.9 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 118' ' ' ILE . 44.5 mt -66.87 144.66 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.96 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.844 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -136.08 159.78 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 71' ' ' ILE . 2.8 tp -136.53 126.2 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 70' ' ' LEU . 69.0 mt -115.35 137.06 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.529 ' HA ' HG22 ' A' ' 103' ' ' THR . 40.8 mtp180 -122.63 134.84 54.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.34 81.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 HG21 ' A' ' 71' ' ' ILE . 53.3 mt -119.02 152.35 51.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -173.46 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.66 -0.14 67.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -114.17 -0.98 13.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 78' ' ' VAL . 12.5 p -57.14 108.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -117.36 170.67 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -57.18 -33.73 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -61.59 -34.0 74.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.22 -45.94 86.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.7 m -69.98 -39.73 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.29 -47.89 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -64.73 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.4 -40.08 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -107.92 34.49 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 t -82.8 15.05 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.42 -24.22 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.45 -176.8 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 108' ' ' LEU . 7.0 mm-40 -89.51 109.14 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.07 93.42 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -75.08 -36.33 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 55.0 t80 -143.57 132.03 22.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 12.1 p -123.36 129.5 51.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -141.2 121.04 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 80' ' ' ASN . 95.7 t -125.61 120.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -116.65 95.08 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' TYR . 9.6 pttt -65.83 -47.56 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 m-85 -35.06 -68.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -28.1 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 31.45 9.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.529 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.5 p -136.84 159.46 41.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.24 132.68 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 70' ' ' LEU . 86.1 m-85 -114.81 123.14 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.6 t -125.87 141.25 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -115.63 119.26 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.531 HD13 ' CB ' ' A' ' 113' ' ' GLN . 18.0 mt -96.86 174.56 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.3 -72.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -103.48 -175.29 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.51 -23.44 50.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.15 -45.81 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.531 ' CB ' HD13 ' A' ' 108' ' ' LEU . 66.8 mt-30 -66.9 -41.35 87.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.33 -44.29 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.19 -44.34 79.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.03 91.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.903 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.67 -43.7 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.844 HD11 HG22 ' A' ' 69' ' ' ILE . 78.5 mt -66.26 -40.08 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -55.61 -46.7 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.4 m -77.51 -48.75 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.903 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.8 m-30 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 8.9 t-80 -71.1 169.25 15.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.615 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 33.89 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' HIS . 91.4 p -100.29 -179.39 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 25.4 mtm105 -141.14 152.03 44.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.868 ' CB ' HD11 ' A' ' 131' ' ' LEU . 31.2 tp -149.49 126.83 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 53.92 37.78 27.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 64.9 51.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -151.17 146.27 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.2 tp10 -80.75 123.68 28.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.868 HD11 ' CB ' ' A' ' 126' ' ' LEU . 14.1 mt -106.06 132.33 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -105.46 125.52 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.3 137.25 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -155.91 161.96 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.24 141.75 57.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.616 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -131.07 161.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.3 tp -139.86 128.81 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 70' ' ' LEU . 47.4 mt -115.67 141.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.484 ' HA ' HG22 ' A' ' 103' ' ' THR . 34.0 mtp180 -125.31 134.24 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.405 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 90.07 81.11 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.9 mt -114.09 149.66 42.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.492 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.77 175.41 8.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.75 -6.19 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.42 3.74 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 78' ' ' VAL . 7.5 p -55.93 115.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -119.46 166.83 12.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.49 ' HA ' HG21 ' A' ' 97' ' ' VAL . 18.5 p30 -56.71 -31.78 64.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.76 -34.4 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.04 -45.52 88.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.5 m -69.98 -40.28 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -64.17 -46.65 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.17 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' A' ' 121' ' ' PHE . 57.4 tp -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.94 33.68 4.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 t -81.69 15.4 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -107.66 -23.11 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -112.44 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.99 109.84 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' HG11 ' A' ' 106' ' ' VAL . 31.8 mt -88.24 91.64 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -70.43 -32.47 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -158.31 132.03 7.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.4 t -125.8 129.6 49.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -134.07 121.58 21.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 83' ' ' VAL . 80.6 t -117.33 120.29 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -109.3 111.38 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.505 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.2 ptpp? -86.64 -14.48 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 1.7 m-85 -74.71 -58.86 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -76.72 -21.34 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.92 33.12 16.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 72' ' ' ARG . 52.8 p -140.95 163.36 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.0 131.64 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 125.6 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' A' ' 92' ' ' LEU . 47.4 t -131.24 138.14 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.8 m -107.49 116.52 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -89.15 177.51 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.13 -66.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -102.9 177.71 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.29 32.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.01 -44.02 87.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.518 ' CB ' HD13 ' A' ' 108' ' ' LEU . 74.4 mt-30 -63.09 -39.7 95.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.52 -46.35 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.97 -44.1 85.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.08 99.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.17 -43.01 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.616 HD11 HG22 ' A' ' 69' ' ' ILE . 70.8 mt -67.7 -39.99 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.29 -47.98 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 89.1 m -78.83 -48.41 14.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.3 m-30 -61.33 -26.31 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 71.6 t60 -70.36 164.51 24.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 13.0 pt20 42.04 27.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -99.1 178.89 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -142.85 149.89 39.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.646 ' HB2' HD11 ' A' ' 131' ' ' LEU . 48.5 tp -141.2 143.35 34.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 126' ' ' LEU . 2.0 mmp_? 36.72 42.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 64.62 54.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -154.99 145.77 22.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.456 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.8 tt0 -80.78 124.33 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 126' ' ' LEU . 57.3 mt -102.64 131.54 49.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -107.41 121.24 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.54 141.99 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -155.08 161.33 41.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.14 142.4 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.439 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -124.9 164.42 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.6 tp -140.0 126.9 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.471 HG12 HG22 ' A' ' 133' ' ' VAL . 52.6 mt -115.37 131.55 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 103' ' ' THR . 47.3 mtp180 -114.54 136.99 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.55 81.72 1.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -118.18 147.96 42.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.22 14.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.273 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.17 3.6 76.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -119.57 -0.69 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 78' ' ' VAL . 8.8 p -51.96 116.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -119.93 166.51 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.515 ' HA ' HG21 ' A' ' 97' ' ' VAL . 45.0 m-80 -54.14 -33.02 56.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.18 -34.11 75.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 80' ' ' ASN . 15.3 m -70.03 -40.49 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.62 -47.88 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.87 -37.42 87.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 tp -65.67 -36.11 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 mt -114.77 34.98 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -82.97 12.55 4.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.84 -24.87 12.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.46 -177.94 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.43 109.63 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.99 97.79 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -76.1 -36.85 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.1 t80 -143.13 133.12 24.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.29 126.9 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 49.4 t80 -141.48 124.84 16.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 80' ' ' ASN . 61.1 t -121.88 117.88 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.27 96.28 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -74.93 -37.13 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -41.45 -58.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -78.37 -26.64 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 30.92 8.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 72' ' ' ARG . 30.7 p -140.96 158.05 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.83 130.08 48.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.3 m-85 -109.93 124.41 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.8 t -132.72 139.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.2 m -112.2 119.73 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.1 mt -91.1 175.96 6.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.77 -71.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.34 -175.81 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.81 -22.58 52.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.06 -41.81 97.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.556 ' CB ' HD13 ' A' ' 108' ' ' LEU . 31.3 mt-30 -70.85 -37.36 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.53 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.99 -46.73 87.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.0 -43.74 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.886 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.45 -43.87 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 69' ' ' ILE . 87.9 mt -66.84 -39.97 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.37 -45.15 80.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.5 m -78.96 -48.53 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.886 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -61.87 -25.82 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 34.0 t60 -70.73 157.59 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.9 pt20 47.19 26.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.5 p -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -133.61 154.49 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' A' ' 131' ' ' LEU . 32.3 tp -150.01 134.57 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 126' ' ' LEU . 18.4 mmt180 41.08 36.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 69.69 52.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.432 ' C ' ' HD3' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -153.14 144.76 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 28.3 tt0 -80.15 125.08 29.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 126' ' ' LEU . 20.5 mt -101.07 131.0 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -104.33 120.05 40.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.471 HG22 HG12 ' A' ' 71' ' ' ILE . 39.4 t -123.66 135.54 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.87 158.87 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.14 142.7 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.45 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -128.15 164.59 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.7 tp -139.9 122.94 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 70' ' ' LEU . 54.9 mt -118.44 141.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.5 mtt-85 -129.0 141.46 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.22 71.67 1.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 78' ' ' VAL . 29.8 mt -106.81 151.78 40.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.75 179.22 3.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.88 -11.05 82.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -106.0 -1.33 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' VAL . 6.0 p -46.18 109.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -119.75 170.52 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p30 -56.91 -31.3 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.86 -34.35 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.98 -45.2 90.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 HG22 ' A' ' 97' ' ' VAL . 16.7 m -69.66 -39.73 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.4 -48.07 74.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.25 -37.1 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.58 -41.99 98.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.14 36.83 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -83.18 16.42 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.35 -24.58 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -108.45 178.88 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.91 110.31 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' HG11 ' A' ' 106' ' ' VAL . 34.5 mt -91.64 93.5 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -73.38 -37.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -143.17 135.46 27.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.2 p -124.3 129.99 51.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -138.59 125.94 21.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 83' ' ' VAL . 49.2 t -126.16 117.41 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.86 103.81 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 17.8 ptmt -76.13 -37.77 57.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 14.6 m-85 -42.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -67.77 -31.34 71.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.16 31.79 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 72' ' ' ARG . 54.5 p -137.59 156.82 47.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.92 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.9 m-85 -118.38 124.87 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.485 HG11 ' CD2' ' A' ' 92' ' ' LEU . 45.4 t -128.25 138.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -109.12 119.78 40.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.577 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -93.42 177.87 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.7 -73.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -98.89 -177.17 3.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.45 -16.62 60.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.12 -46.68 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.577 ' CB ' HD13 ' A' ' 108' ' ' LEU . 40.3 mt-30 -64.61 -34.46 78.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.75 -46.59 84.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -64.31 -46.08 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.71 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.71 -43.95 82.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.57 -40.31 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.08 -46.66 82.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 24.3 m -77.54 -48.75 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -60.31 -30.5 69.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 26.6 t-80 -70.62 168.62 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 8.6 pt20 42.29 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 122' ' ' HIS . 49.5 p -94.28 178.48 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -140.76 155.49 46.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.645 ' HB2' HD11 ' A' ' 131' ' ' LEU . 57.2 tp -150.86 135.12 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 39.55 41.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 65.28 53.89 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -153.22 145.97 24.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 32.3 tt0 -82.08 124.01 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 126' ' ' LEU . 40.1 mt -99.86 132.66 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -103.41 124.79 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.84 134.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.69 163.54 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.07 142.35 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -137.83 157.21 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.4 tp -140.66 129.66 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 70' ' ' LEU . 63.5 mt -116.41 144.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.9 mtp85 -129.57 132.13 46.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.24 81.74 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 78' ' ' VAL . 55.3 mt -109.86 149.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 174.72 9.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.94 -19.04 79.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -99.72 3.7 45.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.704 ' O ' HG13 ' A' ' 78' ' ' VAL . 10.1 p -55.79 105.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -119.46 170.9 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.624 ' HA ' HG21 ' A' ' 97' ' ' VAL . 5.2 m-20 -55.47 -32.89 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -64.04 -34.75 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.81 -46.02 83.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 97' ' ' VAL . 24.0 m -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' SER . 18.6 m-70 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -60.96 -33.96 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 121' ' ' PHE . 47.1 tp -71.16 -31.85 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -118.41 28.87 8.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' HIS . 1.1 m -83.21 12.14 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.04 -23.53 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.29 -174.81 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.26 108.74 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.3 mt -90.51 96.2 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -78.15 -37.37 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -141.85 132.28 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.65 128.57 48.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 1.1 t80 -141.64 120.85 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 ' HA ' ' A' ' 80' ' ' ASN . 26.0 t -118.56 119.09 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 3.9 p30 -113.93 108.84 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -82.27 -34.57 28.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -49.31 -64.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -30.33 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.6 33.06 7.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 72' ' ' ARG . 58.2 p -137.72 171.85 13.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.18 129.65 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 70' ' ' LEU . 93.5 m-85 -115.66 124.21 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.89 142.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.8 m -113.0 115.59 28.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.3 mt -87.88 176.63 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 tp -70.67 -72.13 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -104.03 179.68 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.05 -21.43 63.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -59.86 -46.95 87.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.642 ' CB ' HD13 ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.4 -39.82 89.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.98 88.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.28 -43.34 82.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.13 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.839 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.66 -44.02 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.598 HD11 HG22 ' A' ' 69' ' ' ILE . 83.4 mt -66.65 -40.09 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.22 -45.82 75.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.8 m -79.63 -49.0 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.839 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -60.23 -27.18 66.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 56.0 t60 -68.58 158.63 33.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.5 pt20 45.9 27.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.3 p -97.06 172.95 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 -140.62 149.54 42.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.736 ' CB ' HD11 ' A' ' 131' ' ' LEU . 29.7 tp -142.13 145.84 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.7 mmt-85 38.51 38.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.7 44.84 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -144.06 146.21 32.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 9.4 tm-20 -81.18 123.68 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.736 HD11 ' CB ' ' A' ' 126' ' ' LEU . 12.4 mt -104.04 132.99 49.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -105.23 122.62 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.46 135.71 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -151.77 158.39 43.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.97 142.87 57.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -128.23 158.86 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.154 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.876 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -140.71 123.77 16.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 133' ' ' VAL . 57.4 mt -112.7 141.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.2 mtp85 -126.05 132.43 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.2 79.31 1.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.22 151.49 39.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.507 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.3 Cg_endo -69.79 153.76 68.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -6.35 13.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -118.23 19.14 13.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 78' ' ' VAL . 11.8 p -68.57 117.96 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 82' ' ' GLU . 8.9 t -119.3 166.14 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.6 p30 -57.67 -37.37 73.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -59.22 -38.58 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 79' ' ' THR . 7.5 tp10 -64.0 -45.34 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.56 HG21 HG22 ' A' ' 97' ' ' VAL . 98.6 t -69.99 -40.03 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CD2' ' SG ' ' A' ' 95' ' ' CYS . 6.6 m-70 -65.87 -47.71 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.21 -31.35 72.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.08 -38.98 90.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.9 mt -113.81 34.65 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -80.14 10.01 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.97 -22.96 15.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -113.23 178.21 4.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.85 107.23 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' HG11 ' A' ' 106' ' ' VAL . 32.3 mt -86.91 91.91 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.4 t80 -151.93 132.05 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' ' CD2' ' A' ' 84' ' ' HIS . 14.9 t -126.01 129.36 49.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 43.4 t80 -133.58 132.67 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG21 ' A' ' 83' ' ' VAL . 20.0 t -124.63 119.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 34.5 t0 -115.82 102.27 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -74.05 -45.69 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -37.5 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -67.78 -28.95 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 30.14 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 72' ' ' ARG . 66.4 p -137.49 157.53 46.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.45 136.87 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.4 m-85 -120.86 125.2 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 92' ' ' LEU . 31.9 t -130.93 141.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -108.62 120.52 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.8 mt -95.44 175.08 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.49 -74.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -178.38 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.21 -16.07 78.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.99 -49.18 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.485 ' CB ' HD13 ' A' ' 108' ' ' LEU . 87.6 mt-30 -68.84 -33.4 73.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.16 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.12 -45.05 95.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.33 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.38 -42.94 95.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 65.0 mt -68.04 -39.98 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.69 -46.93 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -78.49 -48.82 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -60.51 -28.75 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 47.3 t60 -71.01 161.26 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.472 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 9.9 pt20 46.17 26.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.9 p -98.49 169.23 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -137.84 152.09 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.4 tp -143.7 142.58 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 38.8 38.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 65.9 49.15 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.9 146.14 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 12.4 pt-20 -79.83 125.33 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.524 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.9 mt -103.76 133.06 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 m -110.14 121.04 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 71' ' ' ILE . 16.9 t -127.05 137.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.69 162.1 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.04 140.08 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.447 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.8 pp -138.52 155.4 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 105' ' ' PHE . 9.6 tp -126.8 121.66 32.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 103' ' ' THR . 88.0 mt -109.31 144.97 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.625 ' HA ' HG22 ' A' ' 103' ' ' THR . 48.4 mtp85 -130.34 133.74 46.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.67 75.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 103' ' ' THR . 56.9 mt -104.01 154.39 38.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.43 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.3 Cg_endo -69.76 162.82 40.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.62 -7.49 65.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.06 19.09 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 78' ' ' VAL . 6.5 p -63.58 113.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -120.06 163.78 17.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.0 m120 -54.16 -31.3 52.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -66.14 -33.99 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.95 -45.16 90.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -69.37 -39.26 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -62.99 -48.04 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.61 -37.85 87.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 62.3 tp -63.49 -39.93 95.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.5 35.75 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -82.53 16.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -24.55 10.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.89 175.61 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -82.51 108.92 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.09 91.42 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -69.65 -37.58 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -143.32 131.96 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 p -126.01 126.86 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -142.03 132.85 25.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 80' ' ' ASN . 83.1 t -124.55 117.84 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.07 94.08 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -65.51 -38.74 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -49.71 -58.41 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 103' ' ' THR . 35.1 mmtt -83.59 22.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 38.42 35.27 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 101' ' ' LYS . 78.8 p -138.13 168.88 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.93 131.09 21.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 70' ' ' LEU . 99.4 m-85 -109.49 124.04 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -128.68 141.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -116.38 117.44 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.1 mt -86.36 -179.77 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 -70.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -107.18 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.33 -26.75 50.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.67 -46.67 86.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.9 mt-30 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.61 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.4 -46.27 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.09 91.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.26 -43.7 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 95.5 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.33 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.8 m -79.25 -48.7 13.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.7 m-30 -63.66 -26.53 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 50.2 t60 -69.89 158.89 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 30.3 pt20 40.75 40.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -107.85 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -139.92 143.43 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.655 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.7 tp -139.69 119.33 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 57.58 45.56 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 60.4 48.17 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.61 147.68 32.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.5 tp10 -84.31 124.91 31.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.655 HD11 ' CB ' ' A' ' 126' ' ' LEU . 15.7 mt -103.8 132.85 49.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 138.57 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -140.26 130.98 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -150.84 166.35 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 27.7 mt -68.39 145.74 53.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.425 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 1.5 tt0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.533 0.682 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 118' ' ' ILE . 2.0 pp -139.87 164.68 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.6 tp -138.2 125.97 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 133' ' ' VAL . 55.4 mt -114.02 141.49 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 103' ' ' THR . 28.2 mtp85 -122.43 132.57 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 79.3 1.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.8 mt -106.42 150.48 39.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.81 156.22 63.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.16 -17.97 56.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.51 13.69 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.646 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.7 p -66.01 108.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -118.16 170.53 8.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 m-20 -56.42 -31.03 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -65.1 -34.36 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -46.11 79.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' ASN . 27.5 m -70.0 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.414 ' N ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-70 -63.55 -48.16 78.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.49 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.57 -41.51 98.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 108' ' ' LEU . 14.0 mt -114.21 34.43 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -73.97 -48.44 30.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.82 -37.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.05 173.73 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -87.0 107.85 18.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.41 ' CD2' HG11 ' A' ' 106' ' ' VAL . 53.8 mt -79.49 94.32 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.2 mptp? -69.5 -43.04 73.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -139.48 133.02 30.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -118.53 129.83 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 11.5 t80 -142.05 121.05 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.6 t -121.82 118.22 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -117.12 100.89 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' TYR . 19.2 ptmt -74.8 -44.22 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 19.4 m-85 -37.14 -67.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.74 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.2 29.5 6.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 72' ' ' ARG . 47.9 p -135.12 163.03 30.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' ' 70' ' ' LEU . 97.9 m-85 -110.55 123.47 50.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 92' ' ' LEU . 28.2 t -132.5 132.68 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -104.08 112.94 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.6 mt -82.17 176.63 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD1' ' HE3' ' A' ' 93' ' ' LYS . 31.3 tp -51.36 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -136.24 -175.31 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.9 -24.81 74.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 41.6 mm-40 -60.83 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.452 ' CB ' HD13 ' A' ' 108' ' ' LEU . 56.7 mt-30 -67.18 -33.8 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.01 -46.12 75.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.73 -46.95 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.706 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.47 -42.63 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.662 HD11 HG22 ' A' ' 69' ' ' ILE . 86.4 mt -67.09 -39.89 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -55.06 -47.64 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 56.8 m -79.21 -49.06 13.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.706 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -58.53 -29.98 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 35.8 t60 -71.04 159.29 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 5.6 pt20 49.54 28.32 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.3 p -100.3 170.78 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -138.33 145.51 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.57 ' CB ' HD11 ' A' ' 131' ' ' LEU . 21.5 tp -141.89 142.35 33.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 40.61 39.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 62.2 51.75 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.37 146.93 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.484 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 14.8 tp10 -79.73 125.37 29.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.1 mt -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.03 125.93 54.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 71' ' ' ILE . 38.3 t -128.88 135.65 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -151.11 165.75 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.17 139.77 40.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 110.958 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 118' ' ' ILE . 2.6 pp -134.61 160.09 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.5 tp -138.72 128.43 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.493 HG12 HG22 ' A' ' 133' ' ' VAL . 52.4 mt -116.7 141.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -123.59 134.02 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.56 74.0 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD22 HG21 ' A' ' 78' ' ' VAL . 42.0 mt -98.82 152.42 37.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.7 164.81 33.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.5 -15.93 73.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.47 18.31 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 78' ' ' VAL . 7.5 p -62.84 110.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.52 165.34 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.463 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.6 p30 -53.92 -31.09 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.07 -34.0 77.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.99 -46.03 86.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 11.7 m -69.79 -39.11 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -63.78 -47.96 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.85 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.499 HD11 ' CE1' ' A' ' 121' ' ' PHE . 60.0 tp -62.83 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.48 ' CB ' HD21 ' A' ' 92' ' ' LEU . 15.6 mt -109.27 33.69 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.7 t -81.15 11.86 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.79 -20.65 12.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -113.63 178.99 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.5 mp0 -83.57 106.97 15.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 87' ' ' LEU . 30.3 mt -86.56 87.86 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -59.12 -45.6 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 30.4 t80 -150.07 134.36 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.58 130.03 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 31.1 t80 -133.2 131.92 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 80' ' ' ASN . 90.2 t -126.11 123.88 64.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -116.98 105.56 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.0 ptpp? -81.13 -24.76 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.482 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 2.0 m-85 -63.51 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -70.68 -30.15 66.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 74' ' ' LEU . . . 93.14 28.34 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 74' ' ' LEU . 40.6 p -134.53 156.95 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.092 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.67 129.09 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -110.81 124.31 51.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG11 HD13 ' A' ' 87' ' ' LEU . 46.1 t -124.53 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.3 m -110.62 116.45 31.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 91' ' ' GLU . 11.8 mt -94.16 175.2 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.22 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 113' ' ' GLN . 22.4 p30 -118.01 -178.83 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.36 -25.88 56.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.65 -47.97 82.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.579 ' CB ' HD13 ' A' ' 108' ' ' LEU . 16.0 mt-30 -62.36 -37.6 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.43 82.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.05 -45.91 90.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.45 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.892 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.29 -43.69 81.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.831 HD11 HG22 ' A' ' 69' ' ' ILE . 85.2 mt -66.01 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.25 -47.14 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.2 m -78.12 -49.01 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.892 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.08 -27.6 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 21.0 t-80 -69.55 167.66 16.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 14.5 pt20 43.57 25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 60.0 p -95.06 174.43 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 mtm-85 -136.68 152.27 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.482 ' CB ' HD11 ' A' ' 131' ' ' LEU . 45.4 tp -149.34 121.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 52.97 47.31 24.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 57.75 51.16 9.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 140.68 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 4.5 pm0 -80.13 134.43 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.6 mt -112.57 132.68 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -109.71 120.01 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 71' ' ' ILE . 43.0 t -123.77 138.67 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.21 163.56 39.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.83 143.04 58.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.643 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -121.1 161.31 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -130.5 133.96 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.3 mt -129.03 140.9 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 103' ' ' THR . 44.6 mtt180 -130.82 133.36 45.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.6 70.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 103' ' ' THR . 36.8 mt -97.48 152.55 38.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.4 Cg_endo -69.79 168.18 22.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.69 -6.0 75.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.15 25.17 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.601 ' O ' HG13 ' A' ' 78' ' ' VAL . 12.3 p -71.55 115.82 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -119.95 161.1 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.456 ' HA ' HG21 ' A' ' 97' ' ' VAL . 7.1 p30 -54.21 -31.98 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -65.82 -33.98 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.29 -45.88 86.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 97' ' ' VAL . 16.3 m -69.43 -43.81 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 83' ' ' VAL . 13.9 m-70 -59.42 -48.0 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.87 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.95 -40.82 98.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 117' ' ' ALA . 13.5 mt -113.17 34.55 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 p -74.74 -46.46 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -38.85 -40.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.61 177.54 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.58 106.99 18.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 106' ' ' VAL . 38.5 mt -83.53 95.85 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -73.41 -29.32 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 95' ' ' CYS . 4.5 t80 -162.02 131.77 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 36.8 t -126.06 130.05 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 71.1 t80 -132.15 121.06 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 80' ' ' ASN . 94.8 t -119.34 118.34 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -116.62 95.59 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 19.4 ptmt -66.82 -42.56 85.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.481 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.2 m-85 -35.6 -65.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -71.72 -31.83 67.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.7 28.94 8.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 74' ' ' LEU . 66.6 p -133.59 164.21 27.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.37 136.04 43.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.6 m-85 -124.37 123.37 40.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 92' ' ' LEU . 34.1 t -130.02 147.44 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -115.47 116.21 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 113' ' ' GLN . 12.8 mt -87.69 -178.97 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.2 -69.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -116.44 -176.95 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.61 -18.83 74.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 4.4 pt-20 -65.06 -43.81 91.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.514 ' CB ' HD13 ' A' ' 108' ' ' LEU . 20.9 mt-30 -69.36 -33.21 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -44.95 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.85 -46.11 91.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.58 96.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.94 -43.39 83.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.643 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.03 -39.86 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -57.11 -45.81 83.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.4 m -78.6 -49.12 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -59.55 -31.8 69.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 42.7 t60 -66.01 156.69 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.6 pt20 47.71 33.77 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.5 p -103.4 171.24 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -140.41 150.77 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.637 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.6 tp -145.29 125.65 13.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 127' ' ' ARG . 11.6 mtp-105 52.65 44.6 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 60.63 51.96 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.54 146.73 28.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 1.2 tm-20 -83.42 121.03 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.637 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.0 mt -101.38 132.93 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.11 135.0 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 71' ' ' ILE . 38.7 t -143.68 130.9 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -154.56 166.63 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.45 145.15 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -127.12 161.82 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD13 ' CE2' ' A' ' 105' ' ' PHE . 8.5 tp -136.49 128.4 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.4 mt -120.62 144.97 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HA ' HG22 ' A' ' 103' ' ' THR . 61.0 mtt180 -133.86 138.06 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.78 67.36 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.02 152.55 37.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.45 12.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -17.08 80.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -106.83 15.49 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 78' ' ' VAL . 11.7 p -62.67 111.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -119.09 166.03 13.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.477 ' O ' HG22 ' A' ' 83' ' ' VAL . 28.7 m-80 -54.06 -31.09 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.32 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.03 -45.94 86.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.4 m -68.69 -39.04 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.8 -48.03 78.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -63.48 -37.04 85.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.7 tp -64.16 -41.73 97.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -111.87 36.12 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -82.98 17.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -109.46 -26.36 10.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -105.75 -179.7 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.0 109.48 18.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.3 mt -88.96 95.5 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -77.06 -31.68 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 5.9 t80 -150.08 131.97 15.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.4 p -125.82 129.8 50.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 81.3 t80 -137.51 134.44 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 80' ' ' ASN . 79.6 t -134.51 118.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -116.63 101.19 8.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -70.15 -40.41 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -43.14 -65.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.31 31.43 7.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 72' ' ' ARG . 60.8 p -135.27 169.31 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.19 130.19 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 70' ' ' LEU . 96.3 m-85 -116.23 123.89 48.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.93 146.4 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.0 m -116.36 117.01 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.491 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.4 mt -91.27 176.24 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 110' ' ' ASN . 51.1 tp -62.0 -71.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.42 ' CG ' ' HG ' ' A' ' 109' ' ' LEU . 9.4 m-80 -115.57 -175.94 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.75 -12.55 84.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 5.3 pt-20 -68.75 -45.97 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.491 ' OE1' HD22 ' A' ' 108' ' ' LEU . 55.3 mt-30 -69.83 -36.14 75.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.81 -46.34 85.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -61.02 -45.81 93.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.6 98.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.564 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.1 -43.57 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -67.71 -39.96 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -56.83 -47.17 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 60.8 m -78.16 -48.93 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.564 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.27 -27.66 68.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 62.6 t60 -70.52 162.12 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 20.4 pt20 42.71 29.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 176.23 5.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 125' ' ' ARG . 26.3 mtm105 -142.24 151.25 41.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.667 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.9 tp -146.56 127.06 14.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 53.66 40.91 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 62.48 53.14 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -151.64 144.95 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.9 tp10 -80.6 124.19 28.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.667 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.9 mt -103.82 130.59 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -103.34 128.29 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 118' ' ' ILE . 48.6 t -130.58 134.2 62.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -154.1 164.94 37.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.21 144.09 53.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.939 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -137.7 162.23 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.8 tp -141.04 127.43 19.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 133' ' ' VAL . 67.0 mt -117.92 145.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HA ' HG22 ' A' ' 103' ' ' THR . 70.8 mtt180 -133.67 131.92 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.11 68.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 78' ' ' VAL . 37.9 mt -92.59 152.84 42.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.2 Cg_endo -69.78 165.61 30.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -14.29 72.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -112.24 22.03 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.9 p -68.62 117.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 t -119.77 159.0 25.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 0.8 OUTLIER -54.03 -31.14 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -66.69 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -64.58 -45.74 85.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.8 m -69.66 -39.33 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.23 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.95 -37.36 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.674 HD21 ' HB1' ' A' ' 117' ' ' ALA . 14.7 mt -114.67 30.36 7.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 p -73.76 -43.79 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -41.56 -41.3 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.455 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.7 m-85 -87.59 177.05 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -87.38 108.6 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 106' ' ' VAL . 64.4 mt -85.24 95.77 9.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -76.88 -37.74 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 15.5 t80 -138.32 131.95 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 63.1 t80 -142.07 121.14 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.7 t -124.0 118.34 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 29.0 t0 -116.93 96.06 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -67.97 -41.22 82.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.95 -68.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -67.39 -37.79 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.01 28.54 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.7 p -132.4 170.23 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.16 129.25 20.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.3 m-85 -111.35 124.55 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 92' ' ' LEU . 49.0 t -132.89 132.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.3 m -106.19 118.98 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.1 mt -86.29 179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.16 -62.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.28 177.8 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.65 -31.37 33.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.29 -44.04 88.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.666 ' CB ' HD13 ' A' ' 108' ' ' LEU . 30.6 mt-30 -62.29 -37.68 86.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -68.01 -45.93 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.1 -46.8 88.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.62 93.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.864 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.2 -44.13 92.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.577 HG23 HG12 ' A' ' 133' ' ' VAL . 96.8 mt -67.58 -39.72 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.29 -42.35 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 m -79.51 -49.12 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.864 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.7 -34.19 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 44.3 t60 -65.45 159.72 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 7.4 pt20 48.4 28.55 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 p -105.76 166.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CA ' HD12 ' A' ' 131' ' ' LEU . 57.1 mtt180 -139.21 145.64 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.525 ' CB ' HD11 ' A' ' 131' ' ' LEU . 22.8 tp -140.06 121.25 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 26.4 mmt180 60.4 54.65 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 127' ' ' ARG . 6.9 pt-20 47.89 42.21 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -133.6 149.96 51.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 33.4 tt0 -85.29 125.26 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.4 mt -106.73 132.99 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -113.08 120.13 40.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.577 HG12 HG23 ' A' ' 118' ' ' ILE . 48.4 t -124.08 138.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . 0.469 ' CG ' HD23 ' A' ' 70' ' ' LEU . 6.1 pt20 -155.36 162.27 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 118' ' ' ILE . 27.3 mt -61.77 144.75 54.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.911 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -139.3 158.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 105' ' ' PHE . 7.9 tp -136.86 124.53 22.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.29 144.0 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.1 mtp85 -129.92 132.03 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.3 80.33 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 78' ' ' VAL . 79.1 mt -106.64 151.68 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 54.2 Cg_endo -69.78 156.75 62.47 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.75 -12.68 48.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.72 18.84 18.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.3 p -67.89 113.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 164.22 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.491 ' HA ' HG21 ' A' ' 97' ' ' VAL . 66.8 m-80 -56.28 -31.08 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -66.78 -35.84 81.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -65.42 -46.04 81.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 97' ' ' VAL . 28.4 m -70.03 -40.39 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.48 -48.11 81.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.3 -37.18 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.76 -41.97 98.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -114.5 30.46 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 p -72.88 -48.7 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.47 -41.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -87.54 177.11 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -87.22 109.64 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 106' ' ' VAL . 60.5 mt -86.12 93.45 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -74.67 -37.94 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -137.39 132.68 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.22 129.05 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 22.9 t80 -141.98 121.38 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 80' ' ' ASN . 52.2 t -122.8 117.43 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 96' ' ' PHE . 13.8 t70 -116.7 94.03 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.1 ptmm? -65.9 -45.91 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 8.5 m-85 -35.22 -68.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -37.51 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.04 34.53 4.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 72' ' ' ARG . 64.5 p -135.9 168.06 20.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 111.158 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.01 129.58 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.0 m-85 -112.12 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 92' ' ' LEU . 38.6 t -132.98 135.77 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 m -109.21 121.43 45.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.779 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.7 mt -87.46 177.59 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.1 -63.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -108.78 -174.65 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.39 -27.56 27.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.89 -40.88 85.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.779 ' CB ' HD13 ' A' ' 108' ' ' LEU . 72.2 mt-30 -66.27 -37.96 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.26 82.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.39 -46.53 89.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.68 85.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.59 -43.1 94.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 89.9 mt -67.02 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.33 -47.57 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.0 m -76.95 -48.96 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.62 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 11.0 m-30 -61.52 -29.02 69.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 39.3 t60 -66.87 157.28 33.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 16.5 pt20 45.27 28.87 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -96.81 171.34 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -142.02 151.68 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.504 HD21 ' HG3' ' A' ' 75' ' ' PRO . 14.2 tp -145.5 128.01 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 48.59 44.38 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 61.37 53.91 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -148.85 142.9 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.01 121.2 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.3 mt -100.94 131.71 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -104.8 137.66 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.57 130.97 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -155.98 161.02 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.58 142.88 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.414 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.959 HD11 ' HB ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -131.4 151.98 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 5.9 tp -127.47 127.46 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 51.5 mt -117.3 133.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.754 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.7 mtm180 -115.24 138.1 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' ' NH2' ' A' ' 129' ' ' ARG . . . 85.73 80.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -115.28 148.3 40.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.611 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.5 Cg_endo -69.77 157.31 60.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.82 0.01 16.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.558 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -114.96 2.86 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 75' ' ' PRO . 9.8 p -60.76 113.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -119.83 169.37 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.4 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.5 m120 -55.64 -31.16 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.37 -46.48 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -70.27 -38.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -64.7 -48.07 76.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -61.81 -39.27 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.74 -34.14 77.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.81 33.05 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -81.07 4.68 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.72 -24.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -109.74 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.96 109.6 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.501 ' CD2' HG11 ' A' ' 106' ' ' VAL . 30.5 mt -90.37 90.64 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -70.84 -34.96 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 106' ' ' VAL . 15.5 t80 -155.89 132.0 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.94 129.59 49.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -129.37 123.87 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.4 HG21 ' HA ' ' A' ' 80' ' ' ASN . 40.5 t -117.12 118.53 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' HG3' ' A' ' 101' ' ' LYS . 6.7 t0 -117.03 95.66 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -66.76 -26.97 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.72 -55.64 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 15.1 mttt -72.73 -14.9 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.32 20.06 79.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.754 HG22 ' HA ' ' A' ' 72' ' ' ARG . 82.4 p -135.45 160.76 37.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.09 132.2 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.672 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 94.9 m-85 -117.14 127.14 53.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.959 ' HB ' HD11 ' A' ' 69' ' ' ILE . 98.2 t -130.81 149.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m -113.8 117.81 32.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.643 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -94.07 177.0 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.87 -74.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -102.99 179.05 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.41 -20.93 68.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.643 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.6 mt-30 -65.49 -32.31 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.84 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.27 -44.74 90.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.9 94.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.2 -43.22 78.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.543 ' CD1' HD23 ' A' ' 135' ' ' LEU . 91.4 mt -67.77 -40.03 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.43 -45.97 76.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.2 m -80.04 -48.99 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 8.7 m-30 -61.14 -26.23 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.3 t60 -70.88 164.69 24.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLN . . . . . 0.5 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.24 33.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.4 p -97.59 178.0 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -140.16 147.69 40.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.693 ' CB ' HD11 ' A' ' 131' ' ' LEU . 19.4 tp -142.03 124.83 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 49.6 44.17 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 62.9 51.3 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.471 ' NH2' ' C ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -149.8 145.04 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -80.02 126.36 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 126' ' ' LEU . 28.7 mt -105.73 130.02 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -104.14 120.43 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.45 HG21 ' C ' ' A' ' 121' ' ' PHE . 21.2 t -119.7 141.16 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.99 160.15 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 118' ' ' ILE . 48.1 mt -64.53 143.34 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.2 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 0.0 110.919 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.9 p -90.11 162.85 15.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.819 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -106.14 84.03 1.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.68 -165.58 34.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.4 t -152.91 162.44 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.898 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.8 p -78.22 -47.9 16.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.29 146.76 2.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.772 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -133.86 164.4 34.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.152 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.608 HD13 ' CE1' ' A' ' 105' ' ' PHE . 11.2 tp -138.64 123.08 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.0 mt -111.17 125.02 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 103' ' ' THR . 22.4 mtt180 -113.25 132.91 55.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.89 77.39 1.35 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.531 HD11 ' C ' ' A' ' 103' ' ' THR . 44.5 mt -109.57 152.49 42.82 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.553 0.692 . . . . 0.0 110.934 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 162.43 42.09 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -69.19 -11.99 64.98 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -113.04 19.88 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 78' ' ' VAL . 9.6 p -67.03 113.77 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.5 t -119.89 164.41 16.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.102 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 p-10 -54.03 -35.24 61.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.9 tp60 -62.08 -34.12 75.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -64.27 -45.95 85.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.1 m -69.87 -39.06 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -61.93 -45.66 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -66.12 -37.97 87.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 67.2 tp -61.12 -41.95 97.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.409 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.1 mt -109.01 35.3 3.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -81.11 14.38 2.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.34 -23.79 11.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.489 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.3 m-85 -109.56 177.31 4.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.569 ' O ' HD23 ' A' ' 108' ' ' LEU . 0.6 OUTLIER -84.49 109.34 17.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 42.7 mt -88.38 93.27 9.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -72.31 -39.39 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 19.2 t80 -142.13 133.18 26.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 20.9 p -123.61 129.09 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 18.1 t80 -138.42 133.49 32.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 77.3 t -133.73 117.51 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 34.7 t0 -116.95 98.26 6.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -67.92 -41.3 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.96 -67.35 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.4 mmtp -69.54 -38.8 77.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.68 34.8 4.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.531 ' C ' HD11 ' A' ' 74' ' ' LEU . 52.2 p -136.84 168.94 18.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 111.157 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.0 129.54 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.9 m-85 -112.3 124.41 52.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.76 135.18 60.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.1 m -111.07 115.44 29.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 91' ' ' GLU . 8.6 mt -87.41 -179.31 6.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.1 tp -74.94 -67.83 0.61 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -105.25 -175.09 2.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -85.76 -26.91 33.53 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -58.42 -46.41 86.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.816 0.341 . . . . 0.0 110.932 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.48 ' C ' HD13 ' A' ' 108' ' ' LEU . 40.0 mt-30 -66.47 -34.19 77.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.85 -43.55 79.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.072 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.17 -44.78 94.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.35 97.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.56 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.6 -44.0 87.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.078 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 69' ' ' ILE . 77.4 mt -67.96 -40.04 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -58.87 -44.83 91.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 19.4 m -78.17 -49.02 14.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.56 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.6 m-30 -61.98 -30.81 71.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.477 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 37.8 t60 -68.99 156.13 39.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 4.0 pt20 45.29 31.63 0.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.9 p -98.75 174.67 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -139.37 148.36 42.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.445 ' CB ' HD11 ' A' ' 131' ' ' LEU . 11.4 tp -145.59 116.16 7.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.1 mtp180 61.15 47.48 7.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 58.84 54.9 4.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -152.48 151.36 30.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 47.6 tt0 -89.68 128.33 36.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.445 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.5 mt -106.97 132.96 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 m -108.9 127.69 54.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 57.9 t -136.1 139.42 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -155.86 161.61 40.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.9 mt -61.12 143.31 55.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.466 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 42.7 tt0 -57.53 139.28 81.16 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.57 0.7 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 53.7 Cg_endo -69.78 178.12 4.9 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.252 . . . . 0.0 112.322 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 36.9 p -77.91 82.23 4.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.7 t70 68.19 31.89 5.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . 42.58 48.62 4.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.13 111.67 22.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 mt -78.12 112.78 15.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 18.0 t -129.38 153.71 47.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 65.4 m -123.11 122.73 39.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 175.38 177.76 44.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 154.31 67.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.735 2.29 . . . . 0.0 112.359 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 1.4 t -82.98 -56.18 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.839 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 21.5 p -155.61 170.94 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.0 p -113.53 111.77 22.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.859 0.362 . . . . 0.0 110.802 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.443 ' HA ' HD13 ' A' ' 135' ' ' LEU . 80.1 p -152.9 171.44 18.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 150.07 -64.92 0.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.6 m -82.6 144.96 29.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' GLY . 23.7 t -81.98 -43.92 17.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -37.34 151.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -122.55 160.94 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.562 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.9 tp -137.51 124.94 21.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.3 mt -113.84 144.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.51 ' HA ' HG22 ' A' ' 103' ' ' THR . 23.2 mtp85 -129.45 132.87 47.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.467 ' O ' ' CZ ' ' A' ' 129' ' ' ARG . . . 90.82 78.91 1.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.401 HD13 HG21 ' A' ' 78' ' ' VAL . 59.6 mt -114.08 149.28 41.69 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.683 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.75 168.73 20.69 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -73.13 -15.09 78.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.457 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -102.93 6.14 38.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 75' ' ' PRO . 7.2 p -59.06 112.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.2 t -119.96 170.26 9.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.501 ' HA ' HG21 ' A' ' 97' ' ' VAL . 14.6 t-20 -57.19 -31.81 65.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -62.36 -34.07 75.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -64.19 -46.02 85.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 80' ' ' ASN . 14.5 m -69.99 -39.33 77.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -64.49 -47.97 76.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.01 -37.5 87.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 68.1 tp -64.99 -38.63 91.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.921 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 20.7 mt -111.66 34.14 4.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 t -82.36 15.21 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -108.51 -18.05 13.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.5 ' HB2' HD21 ' A' ' 108' ' ' LEU . 15.8 m-85 -115.5 176.31 5.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.34 108.18 16.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.8 mt -85.59 94.55 9.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.78 -38.34 62.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.0 t80 -141.09 134.06 29.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.51 129.76 51.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 48.4 t80 -141.71 128.16 20.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.501 HG21 ' HA ' ' A' ' 80' ' ' ASN . 43.3 t -129.48 119.93 49.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.412 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 10.6 t0 -116.9 102.43 9.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 15.3 ptmt -72.22 -39.57 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.456 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.6 m-85 -43.39 -69.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -67.54 -33.24 74.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.42 33.29 6.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 72' ' ' ARG . 65.4 p -136.45 162.36 33.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 111.142 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.02 134.96 43.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.562 ' CE1' HD13 ' A' ' 70' ' ' LEU . 96.9 m-85 -115.54 124.79 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.19 138.16 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.9 m -114.04 115.39 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.73 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.2 mt -86.93 179.93 6.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.6 tp -72.2 -71.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -102.91 -177.05 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.79 -20.41 61.5 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -62.54 -47.38 84.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.785 0.326 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.73 ' OE1' HD22 ' A' ' 108' ' ' LEU . 79.4 mt-30 -64.71 -34.33 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.24 -46.6 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.98 -46.05 89.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.825 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.35 97.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.605 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.37 -43.92 84.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.469 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 87.3 mt -67.27 -40.09 84.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -57.28 -46.75 82.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.9 m -77.54 -48.64 16.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.167 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.605 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.9 -28.46 69.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.563 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.9 t60 -70.94 167.41 19.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.563 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.66 33.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 122' ' ' HIS . 24.6 p -101.35 171.5 7.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -136.74 148.12 47.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.656 ' CB ' HD11 ' A' ' 131' ' ' LEU . 14.5 tp -140.04 135.19 32.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 41.97 44.48 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 62.83 54.18 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.467 ' CZ ' ' O ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -153.39 143.74 22.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -79.95 128.65 33.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.656 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.4 mt -108.71 130.78 55.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.2 m -104.8 123.86 48.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.2 t -128.16 140.78 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -155.73 161.66 40.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 118' ' ' ILE . 33.3 mt -65.08 141.37 58.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.475 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 40.2 tt0 -53.93 139.33 53.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.475 ' HD2' ' CG ' ' A' ' 136' ' ' GLN . 54.1 Cg_endo -69.73 143.02 49.63 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.667 2.244 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.0 t -74.32 -25.59 59.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -95.69 49.17 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.813 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -92.35 -40.28 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.053 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.2 tt -115.95 -40.49 3.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.6 mt 52.38 45.35 28.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 7.2 t -39.87 -44.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 52.6 p -67.53 128.1 35.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -141.2 -73.92 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 0.15 6.01 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 35.1 m -110.24 159.87 17.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 37.1 m -113.06 -59.97 1.95 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.0 p -170.27 136.38 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.905 0.384 . . . . 0.0 110.821 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.5 t -124.99 157.75 35.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.53 99.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.9 t -71.34 121.19 18.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 77.5 p -68.45 -33.79 74.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.24 153.25 52.87 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.523 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.6 pp -129.74 161.01 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.086 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.518 HD13 ' CE2' ' A' ' 105' ' ' PHE . 6.9 tp -136.66 121.51 18.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.78 143.08 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -126.58 133.07 51.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.43 ' O ' ' NH1' ' A' ' 129' ' ' ARG . . . 89.64 81.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.9 mt -113.27 150.28 42.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.579 0.704 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 127' ' ' ARG . 53.8 Cg_endo -69.77 164.95 32.65 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.688 2.259 . . . . 0.0 112.331 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -72.0 -5.5 61.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -118.25 18.66 13.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.836 0.351 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 78' ' ' VAL . 13.5 p -67.84 114.26 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.34 163.37 17.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.505 ' HA ' HG21 ' A' ' 97' ' ' VAL . 4.0 p-10 -54.14 -35.31 62.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -60.13 -36.3 77.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.98 -44.76 91.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.0 t -69.99 -39.99 78.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' ND1' HD13 ' A' ' 92' ' ' LEU . 20.8 m-70 -62.51 -48.02 81.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -62.56 -37.4 86.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 68.2 tp -64.58 -38.96 92.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 117' ' ' ALA . 14.4 mt -112.94 34.26 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.96 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -82.82 17.57 1.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -108.07 -23.74 11.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -107.44 178.22 4.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.65 107.83 17.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.408 HD13 ' ND1' ' A' ' 84' ' ' HIS . 44.5 mt -86.36 94.35 9.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.0 mmtt -72.03 -35.1 69.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 36.0 t80 -149.43 132.06 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 30.7 p -119.05 129.62 55.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 53.1 t80 -141.49 126.66 18.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.505 HG21 ' HA ' ' A' ' 80' ' ' ASN . 68.8 t -127.18 120.9 56.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -115.87 95.51 5.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -33.04 74.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -55.21 -54.78 39.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.712 ' O ' HG23 ' A' ' 103' ' ' THR . 22.6 mmtp -81.1 10.17 5.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.916 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.38 23.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.52 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.712 HG23 ' O ' ' A' ' 101' ' ' LYS . 42.7 p -139.68 165.95 25.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 111.129 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.54 129.62 22.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CE2' HD13 ' A' ' 70' ' ' LEU . 65.7 m-85 -110.29 126.7 54.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 65.9 t -128.89 138.26 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.6 m -108.21 113.08 25.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.486 HD22 ' OE1' ' A' ' 113' ' ' GLN . 12.9 mt -85.15 -179.69 7.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.2 tp -64.68 -67.75 0.41 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.4 p30 -120.42 -177.89 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.68 -24.63 74.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.523 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.94 -43.0 99.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.486 ' OE1' HD22 ' A' ' 108' ' ' LEU . 84.6 mt-30 -68.8 -32.48 72.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.23 -46.31 77.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -61.7 -46.26 90.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -45.8 93.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.776 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.39 -43.03 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.118 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 75.1 mt -67.84 -40.17 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.05 -44.26 82.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.9 m -79.6 -49.0 12.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.776 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.4 m-30 -61.81 -27.72 68.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.3 t-80 -70.15 167.38 17.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.1 pt20 43.66 25.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.4 p -93.86 170.38 9.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -142.43 145.79 34.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.506 ' CB ' HD11 ' A' ' 131' ' ' LEU . 24.4 tp -139.51 147.29 41.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.432 ' CD ' ' HB3' ' A' ' 75' ' ' PRO . 40.0 mtp85 38.95 36.82 0.17 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 67.09 45.86 1.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -142.94 152.07 41.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.46 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 44.5 tt0 -84.21 123.28 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.506 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.6 mt -100.45 130.14 46.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.5 m -105.1 127.81 53.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -129.4 135.31 61.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -149.61 166.85 28.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.3 mt -69.57 144.72 52.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -80.05 136.68 53.78 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.15 64.22 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 0.0 112.351 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 35.5 m -77.09 137.43 38.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 14.6 t70 68.97 48.38 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -85.7 143.14 28.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 142' ' ' LEU . 3.7 tt -172.51 121.09 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 141' ' ' LEU . 18.3 mt 42.62 38.18 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.55 154.59 42.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 93.4 p -153.89 121.57 5.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 158.71 149.24 5.44 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 147' ' ' SER . 53.8 Cg_endo -69.74 1.67 4.21 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 146' ' ' PRO . 1.1 t -34.28 100.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.835 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.9 t -173.68 160.68 3.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.7 m -74.56 151.56 39.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.919 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.1 t 43.15 41.5 2.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.55 -176.33 51.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 93.4 p -99.26 175.34 5.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.858 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.1 t -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.32 149.03 5.58 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.44 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -134.48 153.14 34.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.633 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.7 tp -136.14 125.79 25.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.402 ' N ' HD12 ' A' ' 70' ' ' LEU . 72.2 mt -117.4 143.61 27.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.503 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.4 mtp-105 -126.5 137.15 53.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 86.04 81.91 1.13 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD13 HG21 ' A' ' 78' ' ' VAL . 67.8 mt -108.51 150.12 40.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 179.27 3.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.93 -15.14 78.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -106.21 11.15 31.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.9 p -60.94 107.18 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.4 t -119.83 168.19 11.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.157 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.486 ' HA ' HG21 ' A' ' 97' ' ' VAL . 13.8 m-80 -54.07 -32.38 54.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -64.98 -33.95 77.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -64.97 -45.5 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 80' ' ' ASN . 18.3 m -69.9 -41.38 79.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.463 ' HA ' HD11 ' A' ' 92' ' ' LEU . 7.7 m-70 -62.14 -47.97 82.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.59 -32.83 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -69.62 -41.99 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 117' ' ' ALA . 12.7 mt -113.17 36.6 3.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 90' ' ' TYR . 59.3 p -74.37 -48.07 30.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.8 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -38.72 -41.75 0.74 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' SER . 15.8 m-85 -89.27 177.16 6.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -90.64 107.26 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD11 ' HA ' ' A' ' 84' ' ' HIS . 67.3 mt -79.42 96.12 5.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -75.98 -38.74 57.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 10.1 t80 -138.77 132.74 31.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 18.1 p -122.06 128.78 51.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 59.8 t80 -141.7 121.53 13.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.486 HG21 ' HA ' ' A' ' 80' ' ' ASN . 82.8 t -123.29 117.57 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -116.73 94.72 4.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER -66.84 -46.35 75.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.445 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.8 m-85 -34.37 -67.62 0.13 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -67.64 -34.21 76.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.0 29.56 7.16 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 72' ' ' ARG . 43.7 p -137.76 169.24 18.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.67 135.09 31.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.065 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.633 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.5 m-85 -115.51 125.62 53.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 58.3 t -131.96 140.7 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -111.13 115.82 30.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.663 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.6 mt -84.18 178.62 7.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.919 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.0 tp -74.31 -63.19 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -105.59 175.91 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.51 -29.92 38.3 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.504 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -59.92 -42.41 93.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.663 ' CB ' HD13 ' A' ' 108' ' ' LEU . 77.1 mt-30 -61.06 -38.38 86.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.11 -46.86 85.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -62.2 -45.72 92.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.63 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.099 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.718 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.26 -43.92 89.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 85.8 mt -67.88 -40.8 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -57.18 -45.59 83.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 25.3 m -77.62 -49.11 15.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.718 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.7 m-30 -63.62 -23.52 67.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.564 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 20.4 t-80 -71.04 167.38 19.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.564 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 10.0 pt20 43.75 25.69 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.9 p -95.66 169.31 10.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -138.94 153.03 48.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.634 ' CB ' HD11 ' A' ' 131' ' ' LEU . 61.6 tp -147.92 132.77 18.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 48.76 42.88 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 58.79 45.72 15.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.467 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -138.64 145.59 40.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -79.98 124.93 29.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.634 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.7 mt -109.46 132.98 53.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.4 122.81 48.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 16.1 t -126.74 136.41 60.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.05 161.48 41.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.1 mt -63.09 146.01 54.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -69.75 158.52 86.9 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.537 0.684 . . . . 0.0 110.96 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 119.48 6.42 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.743 2.296 . . . . 0.0 112.343 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.0 m -37.8 -58.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.168 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -125.92 106.54 9.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -99.55 117.59 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 142' ' ' LEU . 5.8 tt -172.03 145.66 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.721 ' N ' HD23 ' A' ' 141' ' ' LEU . 51.9 mt -48.49 130.51 16.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 5.5 t -89.19 39.88 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 45.6 m -88.98 148.13 23.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 128.98 82.62 0.32 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 124.12 10.76 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.694 2.263 . . . . 0.0 112.316 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 14.4 t -122.27 157.42 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.8 m -57.9 135.09 56.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 75.8 m -105.33 98.59 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.824 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.7 t 56.91 41.85 27.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -158.2 101.17 0.2 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 12.9 m -93.79 157.82 15.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.5 m -105.0 76.06 1.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.838 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.24 166.67 23.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.513 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.502 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -134.18 160.04 41.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.715 HD13 ' CE1' ' A' ' 105' ' ' PHE . 6.7 tp -137.32 125.54 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.7 mt -114.7 142.39 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.456 ' HA ' HG22 ' A' ' 103' ' ' THR . 46.6 mtt180 -133.89 132.03 39.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.52 68.84 1.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD21 HG21 ' A' ' 71' ' ' ILE . 26.8 mt -102.49 151.8 38.26 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.612 0.72 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.436 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.75 176.19 7.1 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.709 2.272 . . . . 0.0 112.358 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -78.72 -17.64 77.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -102.78 9.24 39.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.373 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.616 ' O ' HG13 ' A' ' 78' ' ' VAL . 10.2 p -59.61 108.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.063 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.2 t -119.94 168.69 10.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.481 ' HA ' HG21 ' A' ' 97' ' ' VAL . 34.3 t30 -54.15 -33.75 58.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -59.08 -38.98 80.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -63.92 -45.0 91.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.586 HG21 HG22 ' A' ' 97' ' ' VAL . 87.1 t -69.99 -38.93 76.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.123 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -65.78 -46.7 77.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -64.64 -38.99 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.8 tp -58.98 -38.72 79.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.945 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.9 mt -114.04 34.55 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.929 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.2 m -80.59 11.85 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -108.35 -21.32 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -111.08 170.7 7.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -77.35 107.24 9.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 41.9 mt -84.64 93.37 8.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.446 ' HE2' ' N ' ' A' ' 93' ' ' LYS . 1.4 mmpt? -69.37 -41.81 76.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.503 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -143.54 132.95 23.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.951 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.7 p -118.99 130.01 55.45 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.503 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 28.0 t80 -141.67 134.24 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.586 HG22 HG21 ' A' ' 83' ' ' VAL . 56.1 t -135.29 118.46 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -115.61 102.83 10.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 10.0 ptpt -73.62 -44.72 56.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.471 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 11.5 m-85 -36.14 -68.32 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -68.79 -35.46 77.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.23 28.22 7.77 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.464 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.456 HG22 ' HA ' ' A' ' 72' ' ' ARG . 59.4 p -129.75 165.74 21.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 111.157 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -138.84 130.39 27.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.715 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -116.76 124.6 50.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.97 131.83 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.102 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -104.25 112.99 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.118 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -85.85 -179.02 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.45 -71.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -120.36 179.19 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.97 -23.2 74.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.453 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 4.6 mp0 -58.02 -48.48 79.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.422 ' CB ' HD13 ' A' ' 108' ' ' LEU . 24.1 mt-30 -70.97 -34.12 71.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.98 -46.1 82.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -63.51 -46.38 86.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -42.17 96.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.716 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -69.26 -44.04 72.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.502 HD11 HG22 ' A' ' 69' ' ' ILE . 84.7 mt -66.51 -40.16 85.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -55.34 -47.83 75.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.8 m -78.22 -49.01 14.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.716 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -59.13 -29.28 67.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.465 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 62.3 t60 -70.21 161.56 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.465 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.1 pt20 45.57 28.18 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 26.8 p -98.53 171.15 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 21.8 mtt85 -142.82 151.67 41.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.468 ' CB ' HD11 ' A' ' 131' ' ' LEU . 13.4 tp -143.67 146.77 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 126' ' ' LEU . 23.8 mmt85 36.25 40.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 63.44 53.67 2.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.4 146.13 28.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.843 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.472 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 38.8 tt0 -80.23 124.27 28.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.468 HD11 ' CB ' ' A' ' 126' ' ' LEU . 6.7 mt -106.83 129.88 54.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m -105.28 124.68 49.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 22.1 t -128.5 132.82 67.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.087 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -154.47 159.68 41.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.9 mt -61.59 141.25 57.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -63.85 150.64 90.86 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.579 0.704 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 161.45 45.9 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.312 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 37.5 p -41.18 -61.51 1.0 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.172 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.83 92.81 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.51 -62.14 1.87 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -136.35 115.91 12.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.937 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 22.7 tp -111.74 110.26 20.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 2.1 m -153.44 135.71 14.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 7.7 t -111.15 -55.41 2.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 112.34 -95.04 0.77 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 151.57 69.32 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.276 . . . . 0.0 112.341 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 89.2 p -84.0 -49.26 9.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 8.5 t -118.38 117.85 30.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.485 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 97.9 p -143.45 140.99 30.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.8 m -144.94 166.95 23.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.38 -132.0 10.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -148.21 -179.35 6.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.807 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.6 p -98.41 -33.89 10.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.47 135.76 22.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.415 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -117.71 159.02 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.762 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 12.3 tp -132.55 132.81 42.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 75.9 mt -108.89 145.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.568 ' HA ' HG22 ' A' ' 103' ' ' THR . 21.0 mmm-85 -123.28 139.96 53.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 72.89 81.03 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.582 HD11 ' C ' ' A' ' 103' ' ' THR . 83.8 mt -100.85 150.49 37.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 156.48 63.18 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.647 2.231 . . . . 0.0 112.308 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -60.29 -22.73 58.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -105.82 21.84 16.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.62 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.7 p -65.67 111.0 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.406 HG23 ' H ' ' A' ' 81' ' ' GLN . 13.1 t -120.06 166.26 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.1 m-20 -53.91 -32.7 54.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.406 ' H ' HG23 ' A' ' 79' ' ' THR . 15.1 tp60 -63.27 -38.48 91.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -64.25 -44.36 92.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.556 HG21 HG22 ' A' ' 97' ' ' VAL . 93.1 t -70.02 -38.96 76.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -63.19 -47.88 80.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.814 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -63.21 -37.16 86.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.0 tp -60.47 -41.9 95.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.95 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.1 mt -112.32 36.48 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -83.48 18.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.49 -26.32 10.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -108.5 -179.64 3.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -83.83 107.41 16.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD2' HG11 ' A' ' 106' ' ' VAL . 42.2 mt -87.94 94.4 9.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.1 mmtt -77.71 -35.67 51.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -142.34 131.93 23.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.1 p -126.01 130.13 50.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -139.06 133.2 31.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.556 HG22 HG21 ' A' ' 83' ' ' VAL . 83.6 t -126.66 126.21 68.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -116.96 109.28 16.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.9 ptpp? -83.63 -29.96 27.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.447 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 5.1 m-85 -59.96 -64.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 90.86 34.33 7.8 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.582 ' C ' HD11 ' A' ' 74' ' ' LEU . 74.6 p -137.92 168.58 19.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.782 0.325 . . . . 0.0 111.161 -179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.2 130.24 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.762 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 87.1 m-85 -112.48 124.12 51.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 92' ' ' LEU . 61.2 t -132.3 136.8 55.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -105.26 113.09 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.193 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.575 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.0 mt -83.87 -178.88 7.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.3 tp -81.71 -62.67 1.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -105.39 177.56 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.39 -30.68 29.78 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -59.44 -42.43 91.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.575 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.0 mt-30 -60.52 -33.77 73.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.42 -46.58 72.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -59.99 -46.15 90.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.79 96.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.636 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.09 -43.48 87.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 135' ' ' LEU . 97.0 mt -67.68 -39.71 82.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -58.47 -46.59 86.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 18.4 m -77.61 -49.12 15.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.185 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.636 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.0 m-30 -59.26 -35.13 73.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 19.7 t-80 -65.81 167.37 9.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 11.5 pt20 43.81 25.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 47.5 p -97.61 172.35 7.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -141.21 154.9 46.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.495 ' HB3' HD21 ' A' ' 131' ' ' LEU . 10.9 tp -151.89 127.32 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 55.77 37.71 29.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 65.42 50.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD2' HD23 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -149.68 146.28 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.888 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -80.66 122.52 27.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.495 HD21 ' HB3' ' A' ' 126' ' ' LEU . 7.0 mt -98.05 133.05 43.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -106.72 142.96 35.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.1 t -142.34 138.94 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.119 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.52 ' CG ' HD23 ' A' ' 70' ' ' LEU . 1.1 pm0 -148.05 160.9 42.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.455 HD23 ' CD1' ' A' ' 118' ' ' ILE . 44.5 mt -66.87 144.66 56.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -65.42 143.76 98.79 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.58 0.705 . . . . 0.0 110.96 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.698 ' HB2' ' HB2' ' A' ' 140' ' ' ALA . 53.5 Cg_endo -69.69 112.73 3.15 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.714 2.276 . . . . 0.0 112.357 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 29.2 p -58.83 89.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 3.8 t70 69.15 47.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.698 ' HB2' ' HB2' ' A' ' 137' ' ' PRO . . . -40.5 -57.45 1.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 14.4 tp -86.73 156.61 19.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.6 mt -141.02 157.86 44.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 15.1 t -68.55 -53.02 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 77.4 p -45.24 165.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -160.33 -166.19 18.67 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 87.62 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.727 2.285 . . . . 0.0 112.286 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 48.1 m -128.79 158.14 39.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 2.4 m -70.06 140.29 52.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.5 m -101.35 -44.15 5.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.79 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.3 m -155.22 129.31 8.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.76 110.07 3.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 m -129.16 -50.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.825 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.7 p -121.61 139.93 52.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 147.76 148.9 4.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.521 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.844 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -136.08 159.78 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.832 0.349 . . . . 0.0 111.178 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 71' ' ' ILE . 2.8 tp -136.53 126.2 25.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.613 ' N ' HD12 ' A' ' 70' ' ' LEU . 69.0 mt -115.35 137.06 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.529 ' HA ' HG22 ' A' ' 103' ' ' THR . 40.8 mtp180 -122.63 134.84 54.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.854 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.49 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.34 81.46 1.27 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.513 HD21 HG21 ' A' ' 71' ' ' ILE . 53.3 mt -119.02 152.35 51.75 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.622 0.725 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -173.46 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.68 2.253 . . . . 0.0 112.336 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -93.66 -0.14 67.11 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.441 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -114.17 -0.98 13.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 110.836 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.635 ' O ' HG13 ' A' ' 78' ' ' VAL . 12.5 p -57.14 108.78 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -117.36 170.67 8.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 83' ' ' VAL . 0.4 OUTLIER -57.18 -33.73 67.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -61.59 -34.0 74.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -64.22 -45.94 86.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.7 m -69.98 -39.73 77.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -61.29 -47.89 83.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -64.73 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.1 tp -64.4 -40.08 95.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.3 mt -107.92 34.49 3.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.9 t -82.8 15.05 2.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -108.42 -24.22 11.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.45 -176.8 3.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' O ' HD23 ' A' ' 108' ' ' LEU . 7.0 mm-40 -89.51 109.14 20.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.9 mt -92.07 93.42 8.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -75.08 -36.33 61.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 55.0 t80 -143.57 132.03 22.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 12.1 p -123.36 129.5 51.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.403 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -141.2 121.04 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.457 HG21 ' HA ' ' A' ' 80' ' ' ASN . 95.7 t -125.61 120.21 57.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.098 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -116.65 95.08 4.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 100' ' ' TYR . 9.6 pttt -65.83 -47.56 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.428 ' C ' ' O ' ' A' ' 99' ' ' LYS . 7.5 m-85 -35.06 -68.56 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.06 -28.1 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.03 31.45 9.18 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.529 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.5 p -136.84 159.46 41.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.24 132.68 34.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 70' ' ' LEU . 86.1 m-85 -114.81 123.14 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 27.6 t -125.87 141.25 46.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.097 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.4 m -115.63 119.26 35.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.531 HD13 ' CB ' ' A' ' 113' ' ' GLN . 18.0 mt -96.86 174.56 6.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.3 tp -64.3 -72.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -103.48 -175.29 2.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.51 -23.44 50.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -58.15 -45.81 86.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.814 0.34 . . . . 0.0 110.915 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.531 ' CB ' HD13 ' A' ' 108' ' ' LEU . 66.8 mt-30 -66.9 -41.35 87.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.475 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.33 -44.29 97.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -67.19 -44.34 79.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.03 91.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.903 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -65.67 -43.7 88.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.844 HD11 HG22 ' A' ' 69' ' ' ILE . 78.5 mt -66.26 -40.08 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -55.61 -46.7 77.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.4 m -77.51 -48.75 16.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.903 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.8 m-30 -62.52 -23.52 67.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.615 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 8.9 t-80 -71.1 169.25 15.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.615 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 33.89 35.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 122' ' ' HIS . 91.4 p -100.29 -179.39 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.414 ' NH1' ' HB2' ' A' ' 125' ' ' ARG . 25.4 mtm105 -141.14 152.03 44.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.868 ' CB ' HD11 ' A' ' 131' ' ' LEU . 31.2 tp -149.49 126.83 11.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 53.92 37.78 27.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 64.9 51.55 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -151.17 146.27 26.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.461 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.2 tp10 -80.75 123.68 28.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.868 HD11 ' CB ' ' A' ' 126' ' ' LEU . 14.1 mt -106.06 132.33 52.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.8 m -105.46 125.52 51.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.3 137.25 57.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -155.91 161.96 40.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 29.0 mt -61.24 141.75 57.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.72 146.24 94.75 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.579 0.704 . . . . 0.0 110.914 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.32 21.91 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.236 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 41.1 p -63.9 -43.06 97.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -135.09 137.66 43.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -131.04 37.93 3.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.9 mt -89.87 -55.04 3.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.559 HD23 ' C ' ' A' ' 142' ' ' LEU . 8.4 tt -87.99 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 4.2 t -71.27 123.63 22.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.3 p -64.8 -42.88 94.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.831 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -113.22 164.56 12.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -24.72 29.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 40.3 m -136.1 115.94 13.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.832 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 86.5 p -114.74 175.6 5.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 -179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.5 t -152.05 162.14 41.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.37 . . . . 0.0 110.847 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.3 m -41.99 148.76 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.82 107.3 1.92 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.455 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.0 m -150.7 150.9 31.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.5 p -82.01 179.66 7.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.439 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . 83.27 136.09 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.616 HG22 HD11 ' A' ' 118' ' ' ILE . 2.5 pp -131.07 161.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 111.146 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.3 tp -139.86 128.81 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 70' ' ' LEU . 47.4 mt -115.67 141.33 33.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.484 ' HA ' HG22 ' A' ' 103' ' ' THR . 34.0 mtp180 -125.31 134.24 52.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.405 ' O ' HD23 ' A' ' 131' ' ' LEU . . . 90.07 81.11 1.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.9 mt -114.09 149.66 42.32 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.574 0.702 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.492 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.8 Cg_endo -69.77 175.41 8.15 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.723 2.282 . . . . 0.0 112.35 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.75 -6.19 89.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -111.42 3.74 18.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 78' ' ' VAL . 7.5 p -55.93 115.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.8 t -119.46 166.83 12.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.49 ' HA ' HG21 ' A' ' 97' ' ' VAL . 18.5 p30 -56.71 -31.78 64.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 tp60 -63.76 -34.4 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -64.04 -45.52 88.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.512 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.5 m -69.98 -40.28 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 14.7 m-70 -64.17 -46.65 83.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -65.17 -36.56 84.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD11 ' CE1' ' A' ' 121' ' ' PHE . 57.4 tp -64.22 -36.94 85.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 mt -112.94 33.68 4.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.6 t -81.69 15.4 2.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -107.66 -23.11 12.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -112.44 174.89 5.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -79.99 109.84 14.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' HG11 ' A' ' 106' ' ' VAL . 31.8 mt -88.24 91.64 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -70.43 -32.47 70.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 21.1 t80 -158.31 132.03 7.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 42.4 t -125.8 129.6 49.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 38.9 t80 -134.07 121.58 21.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.512 ' CG2' HG21 ' A' ' 83' ' ' VAL . 80.6 t -117.33 120.29 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -109.3 111.38 22.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.505 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.2 ptpp? -86.64 -14.48 42.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.505 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 1.7 m-85 -74.71 -58.86 3.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.928 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -76.72 -21.34 55.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.92 33.12 16.1 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 72' ' ' ARG . 52.8 p -140.95 163.36 33.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 111.159 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -135.0 131.64 37.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.34 125.6 54.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.473 HG11 ' CD2' ' A' ' 92' ' ' LEU . 47.4 t -131.24 138.14 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.8 m -107.49 116.52 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.518 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.8 mt -89.15 177.51 6.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.8 tp -76.13 -66.38 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -102.9 177.71 4.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -83.84 -29.29 32.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.01 -44.02 87.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.852 0.358 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.518 ' CB ' HD13 ' A' ' 108' ' ' LEU . 74.4 mt-30 -63.09 -39.7 95.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.52 -46.35 86.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.048 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -65.97 -44.1 85.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.08 99.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.061 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.579 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.17 -43.01 79.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.131 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.616 HD11 HG22 ' A' ' 69' ' ' ILE . 70.8 mt -67.7 -39.99 83.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -55.29 -47.98 74.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 89.1 m -78.83 -48.41 14.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.579 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.3 m-30 -61.33 -26.31 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 71.6 t60 -70.36 164.51 24.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 13.0 pt20 42.04 27.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.6 p -99.1 178.89 4.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 57.1 mtt85 -142.85 149.89 39.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.646 ' HB2' HD11 ' A' ' 131' ' ' LEU . 48.5 tp -141.2 143.35 34.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 126' ' ' LEU . 2.0 mmp_? 36.72 42.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 64.62 54.44 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.46 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -154.99 145.77 22.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.456 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.8 tt0 -80.78 124.33 28.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.646 HD11 ' HB2' ' A' ' 126' ' ' LEU . 57.3 mt -102.64 131.54 49.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.1 m -107.41 121.24 44.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.54 141.99 38.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -155.08 161.33 41.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 45.6 mt -67.14 142.4 57.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.439 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.8 tt0 -78.45 138.47 59.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.596 0.712 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 144.95 55.26 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.226 . . . . 0.0 112.313 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 28.6 m -40.51 -38.87 0.91 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -134.22 116.97 15.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -113.64 -47.26 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.091 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 25.8 mt -47.26 131.63 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.6 mt -97.09 41.93 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 4.4 m -121.16 87.12 2.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 14.1 m -54.21 134.73 44.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 178.23 166.14 34.1 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 141.61 45.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.642 2.228 . . . . 0.0 112.342 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.4 t -153.57 127.93 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 7.5 t -88.25 136.97 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -147.86 119.95 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.0 m -109.55 -56.11 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.49 -111.71 2.16 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.447 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.3 m 55.96 39.99 30.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.818 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' GLY . 23.0 t -105.12 -63.57 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -34.58 146.2 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.725 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -124.9 164.42 23.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.591 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.6 tp -140.0 126.9 20.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.471 HG12 HG22 ' A' ' 133' ' ' VAL . 52.6 mt -115.37 131.55 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.45 ' HA ' HG22 ' A' ' 103' ' ' THR . 47.3 mtp180 -114.54 136.99 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.55 81.72 1.33 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -118.18 147.96 42.66 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 171.22 14.89 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.711 2.274 . . . . 0.0 112.273 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -81.17 3.6 76.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.519 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -119.57 -0.69 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.917 0.389 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 78' ' ' VAL . 8.8 p -51.96 116.33 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.8 t -119.93 166.51 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.515 ' HA ' HG21 ' A' ' 97' ' ' VAL . 45.0 m-80 -54.14 -33.02 56.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 -62.18 -34.11 75.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.06 -45.9 86.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 80' ' ' ASN . 15.3 m -70.03 -40.49 78.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.62 -47.88 79.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.87 -37.42 87.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.1 tp -65.67 -36.11 82.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.8 mt -114.77 34.98 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.7 t -82.97 12.55 4.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.799 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.84 -24.87 12.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -107.46 -177.94 3.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.43 109.63 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.99 97.79 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt -76.1 -36.85 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.518 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.1 t80 -143.13 133.12 24.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.96 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.2 p -122.29 126.9 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 49.4 t80 -141.48 124.84 16.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG21 ' HA ' ' A' ' 80' ' ' ASN . 61.1 t -121.88 117.88 53.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -116.27 96.28 5.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -74.93 -37.13 62.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -41.45 -58.68 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.5 mmmt -78.37 -26.64 46.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.46 30.92 8.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.45 HG22 ' HA ' ' A' ' 72' ' ' ARG . 30.7 p -140.96 158.05 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.744 0.307 . . . . 0.0 111.179 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.83 130.08 48.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.591 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.3 m-85 -109.93 124.41 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 30.8 t -132.72 139.21 50.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.2 m -112.2 119.73 39.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.556 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.1 mt -91.1 175.96 6.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 26.1 tp -68.77 -71.75 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -105.34 -175.81 2.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -84.81 -22.58 52.73 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.457 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -61.06 -41.81 97.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.776 0.322 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.556 ' CB ' HD13 ' A' ' 108' ' ' LEU . 31.3 mt-30 -70.85 -37.36 73.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.53 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -61.99 -46.73 87.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -66.0 -43.74 86.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.51 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.886 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.45 -43.87 80.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.725 HD11 HG22 ' A' ' 69' ' ' ILE . 87.9 mt -66.84 -39.97 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.147 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -56.37 -45.15 80.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.5 m -78.96 -48.53 14.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.886 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -61.87 -25.82 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 34.0 t60 -70.73 157.59 37.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.9 pt20 47.19 26.72 0.71 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 54.5 p -94.58 173.7 7.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.6 mtm-85 -133.61 154.49 50.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.606 ' HB2' HD11 ' A' ' 131' ' ' LEU . 32.3 tp -150.01 134.57 17.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.471 ' HG2' ' CD1' ' A' ' 126' ' ' LEU . 18.4 mmt180 41.08 36.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 69.69 52.35 0.43 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.432 ' C ' ' HD3' ' A' ' 129' ' ' ARG . 0.0 OUTLIER -153.14 144.76 23.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.426 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 28.3 tt0 -80.15 125.08 29.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.606 HD11 ' HB2' ' A' ' 126' ' ' LEU . 20.5 mt -101.07 131.0 47.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.7 m -104.33 120.05 40.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.471 HG22 HG12 ' A' ' 71' ' ' ILE . 39.4 t -123.66 135.54 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -155.87 158.87 38.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.14 142.7 56.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.462 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 13.5 tt0 -45.31 139.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.619 0.723 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 140' ' ' ALA . 53.7 Cg_endo -69.81 102.24 1.01 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 12.0 t -44.73 157.26 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t70 45.24 40.75 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.842 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 137' ' ' PRO . . . -71.08 -45.16 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.7 tp -88.36 -59.57 2.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 142' ' ' LEU . 4.1 mp -60.84 162.92 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 3.3 t -142.62 161.37 38.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 76.7 p -131.14 160.43 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -74.43 147.0 36.68 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 93.46 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.7 2.267 . . . . 0.0 112.324 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.5 m -52.13 -53.75 38.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 48.7 m -151.53 117.61 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.8 m -157.62 158.6 35.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 84.9 p -82.44 169.97 15.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -171.86 -80.66 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.434 ' O ' HD22 ' A' ' 135' ' ' LEU . 62.8 m -108.58 121.75 45.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.876 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.1 m -79.28 -37.72 37.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.68 157.93 37.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.45 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -128.15 164.59 29.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.856 0.36 . . . . 0.0 111.15 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.798 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.7 tp -139.9 122.94 16.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 70' ' ' LEU . 54.9 mt -118.44 141.23 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HA ' HG22 ' A' ' 103' ' ' THR . 14.5 mtt-85 -129.0 141.46 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.414 ' O ' ' CD2' ' A' ' 131' ' ' LEU . . . 88.22 71.67 1.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.525 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.461 HD13 HG21 ' A' ' 78' ' ' VAL . 29.8 mt -106.81 151.78 40.65 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.612 0.72 . . . . 0.0 110.918 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.463 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.0 Cg_endo -69.75 179.22 3.85 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.704 2.27 . . . . 0.0 112.35 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -82.88 -11.05 82.16 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -106.0 -1.33 24.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 78' ' ' VAL . 6.0 p -46.18 109.52 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -119.75 170.52 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.475 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p30 -56.91 -31.3 64.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -64.86 -34.35 78.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.98 -45.2 90.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.497 HG11 HG22 ' A' ' 97' ' ' VAL . 16.7 m -69.66 -39.73 78.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -65.4 -48.07 74.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -63.25 -37.1 85.91 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.0 tp -63.58 -41.99 98.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.6 mt -111.14 36.83 3.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.8 t -83.18 16.42 2.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -109.35 -24.58 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -108.45 178.88 4.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -83.91 110.31 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.485 ' CD2' HG11 ' A' ' 106' ' ' VAL . 34.5 mt -91.64 93.5 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -73.38 -37.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -143.17 135.46 27.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.2 p -124.3 129.99 51.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -138.59 125.94 21.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.914 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.497 HG22 HG11 ' A' ' 83' ' ' VAL . 49.2 t -126.16 117.41 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -115.86 103.81 11.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 17.8 ptmt -76.13 -37.77 57.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.412 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 14.6 m-85 -42.53 -69.73 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.5 mmtm -67.77 -31.34 71.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.953 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.16 31.79 7.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.46 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.481 HG22 ' HA ' ' A' ' 72' ' ' ARG . 54.5 p -137.59 156.82 47.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 111.126 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.99 134.92 49.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.798 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.9 m-85 -118.38 124.87 48.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.485 HG11 ' CD2' ' A' ' 92' ' ' LEU . 45.4 t -128.25 138.76 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.086 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.4 m -109.12 119.78 40.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.577 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -93.42 177.87 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.5 tp -73.7 -73.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -98.89 -177.17 3.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.45 -16.62 60.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.12 -46.68 76.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.812 0.339 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.577 ' CB ' HD13 ' A' ' 108' ' ' LEU . 40.3 mt-30 -64.61 -34.46 78.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.75 -46.59 84.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -64.31 -46.08 85.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.71 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.618 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.71 -43.95 82.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.57 -40.31 84.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.08 -46.66 82.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 24.3 m -77.54 -48.75 16.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.618 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -60.31 -30.5 69.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 26.6 t-80 -70.62 168.62 16.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.559 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 8.6 pt20 42.29 24.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 122' ' ' HIS . 49.5 p -94.28 178.48 5.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 42.7 mtm180 -140.76 155.49 46.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.645 ' HB2' HD11 ' A' ' 131' ' ' LEU . 57.2 tp -150.86 135.12 16.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 mmt85 39.55 41.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 65.28 53.89 1.25 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.462 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -153.22 145.97 24.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.462 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 32.3 tt0 -82.08 124.01 29.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.645 HD11 ' HB2' ' A' ' 126' ' ' LEU . 40.1 mt -99.86 132.66 45.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.965 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -103.41 124.79 49.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 5.3 t -129.84 134.59 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -155.69 163.54 39.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 66' ' ' SER . 36.6 mt -66.07 142.35 57.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -81.23 139.2 48.67 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.644 0.735 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 120.34 7.15 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.292 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 82.6 p -63.36 147.43 51.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 t0 39.26 46.22 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -76.08 155.93 34.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.472 HD13 ' O ' ' A' ' 141' ' ' LEU . 0.3 OUTLIER -117.94 -41.05 2.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.1 tp -155.98 130.86 9.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 18.2 m -83.15 109.78 17.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 47.4 t -107.14 157.03 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.64 161.54 39.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -16.22 37.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.385 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.3 m -125.68 174.34 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 11.6 p -115.17 9.15 15.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.57 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 78.4 p -96.14 93.94 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.9 t -52.31 107.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.12 -55.66 4.71 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.502 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.6 t -52.21 157.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.924 0.392 . . . . 0.0 110.839 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 97.5 p -73.42 133.78 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 167.97 147.69 5.42 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.541 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.598 HG22 HD11 ' A' ' 118' ' ' ILE . 2.7 pp -137.83 157.21 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 0.0 111.132 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.589 HD12 ' N ' ' A' ' 71' ' ' ILE . 4.4 tp -140.66 129.66 23.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.589 ' N ' HD12 ' A' ' 70' ' ' LEU . 63.5 mt -116.41 144.99 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.508 ' HA ' HG22 ' A' ' 103' ' ' THR . 26.9 mtp85 -129.57 132.13 46.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.24 81.74 1.26 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.534 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.526 HD22 HG21 ' A' ' 78' ' ' VAL . 55.3 mt -109.86 149.79 40.47 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 174.72 9.1 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.637 2.225 . . . . 0.0 112.364 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -75.94 -19.04 79.16 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -99.72 3.7 45.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.798 0.332 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.704 ' O ' HG13 ' A' ' 78' ' ' VAL . 10.1 p -55.79 105.8 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -119.46 170.9 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.624 ' HA ' HG21 ' A' ' 97' ' ' VAL . 5.2 m-20 -55.47 -32.89 63.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 -64.04 -34.75 78.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -64.81 -46.02 83.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG21 ' CG2' ' A' ' 97' ' ' VAL . 24.0 m -70.08 -39.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.402 ' O ' ' N ' ' A' ' 88' ' ' SER . 18.6 m-70 -64.58 -48.2 75.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -60.96 -33.96 74.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.734 HD11 ' CE1' ' A' ' 121' ' ' PHE . 47.1 tp -71.16 -31.85 68.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.3 mt -118.41 28.87 8.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 84' ' ' HIS . 1.1 m -83.21 12.14 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -104.04 -23.53 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.29 -174.81 2.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -87.26 108.74 19.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.3 mt -90.51 96.2 10.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -78.15 -37.37 46.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -141.85 132.28 25.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.8 p -125.65 128.57 48.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 98' ' ' ASP . 1.1 t80 -141.64 120.85 13.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.624 HG21 ' HA ' ' A' ' 80' ' ' ASN . 26.0 t -118.56 119.09 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 96' ' ' PHE . 3.9 p30 -113.93 108.84 17.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -82.27 -34.57 28.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -49.31 -64.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -30.33 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 92.6 33.06 7.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.508 HG22 ' HA ' ' A' ' 72' ' ' ARG . 58.2 p -137.72 171.85 13.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.148 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.18 129.65 24.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.058 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.542 ' CE1' HD13 ' A' ' 70' ' ' LEU . 93.5 m-85 -115.66 124.21 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.89 142.68 41.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.8 m -113.0 115.59 28.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.642 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.3 mt -87.88 176.63 7.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 21.9 tp -70.67 -72.13 0.22 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -104.03 179.68 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.05 -21.43 63.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -59.86 -46.95 87.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.642 ' CB ' HD13 ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.4 -39.82 89.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.98 88.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.28 -43.34 82.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.25 -46.13 90.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.839 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.66 -44.02 91.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.598 HD11 HG22 ' A' ' 69' ' ' ILE . 83.4 mt -66.65 -40.09 85.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.22 -45.82 75.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 33.8 m -79.63 -49.0 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.839 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.8 m-30 -60.23 -27.18 66.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.467 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 56.0 t60 -68.58 158.63 33.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.467 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 3.5 pt20 45.9 27.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 30.3 p -97.06 172.95 7.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 30.4 mtt85 -140.62 149.54 42.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.736 ' CB ' HD11 ' A' ' 131' ' ' LEU . 29.7 tp -142.13 145.84 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 126' ' ' LEU . 12.7 mmt-85 38.51 38.91 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 65.7 44.84 2.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -144.06 146.21 32.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.458 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 9.4 tm-20 -81.18 123.68 28.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.736 HD11 ' CB ' ' A' ' 126' ' ' LEU . 12.4 mt -104.04 132.99 49.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.4 m -105.23 122.62 46.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.46 135.71 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -151.77 158.39 43.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.97 142.87 57.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -44.08 143.83 1.73 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 0.0 110.878 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 138' ' ' THR . 53.6 Cg_endo -69.81 96.31 0.59 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.335 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 137' ' ' PRO . 6.1 p -37.7 150.88 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 52.97 50.52 17.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -81.12 86.81 6.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.073 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 13.2 mt -121.28 164.24 17.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 57.6 mt -57.03 -55.51 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 16.2 t -104.53 141.99 35.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 3.3 t -161.0 167.95 25.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 165.48 83.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 169.53 18.67 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.0 m -116.36 149.61 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 54.9 m -52.49 114.4 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m -64.37 103.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.831 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -86.8 145.78 26.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.29 124.75 3.45 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.8 t -143.67 112.1 6.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.6 p -98.32 175.39 6.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.49 133.94 6.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.471 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.434 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -128.23 158.86 40.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 111.154 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.876 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -140.71 123.77 16.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 133' ' ' VAL . 57.4 mt -112.7 141.72 27.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.2 mtp85 -126.05 132.43 51.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.2 79.31 1.32 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.3 mt -105.22 151.49 39.6 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.507 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.3 Cg_endo -69.79 153.76 68.4 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.343 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.21 -6.35 13.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -118.23 19.14 13.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 78' ' ' VAL . 11.8 p -68.57 117.96 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 82' ' ' GLU . 8.9 t -119.3 166.14 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.6 p30 -57.67 -37.37 73.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 -59.22 -38.58 80.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.404 ' H ' HG23 ' A' ' 79' ' ' THR . 7.5 tp10 -64.0 -45.34 89.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.56 HG21 HG22 ' A' ' 97' ' ' VAL . 98.6 t -69.99 -40.03 78.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.558 ' CD2' ' SG ' ' A' ' 95' ' ' CYS . 6.6 m-70 -65.87 -47.71 73.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -64.21 -31.35 72.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 49.0 tp -62.08 -38.98 90.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 117' ' ' ALA . 16.9 mt -113.81 34.65 4.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -80.14 10.01 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -98.97 -22.96 15.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -113.23 178.21 4.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -81.85 107.23 14.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' HG11 ' A' ' 106' ' ' VAL . 32.3 mt -86.91 91.91 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mmtm -68.8 -37.69 79.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.426 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 13.4 t80 -151.93 132.05 13.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.558 ' SG ' ' CD2' ' A' ' 84' ' ' HIS . 14.9 t -126.01 129.36 49.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.861 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 43.4 t80 -133.58 132.67 41.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG21 ' A' ' 83' ' ' VAL . 20.0 t -124.63 119.09 55.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.43 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 34.5 t0 -115.82 102.27 9.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -74.05 -45.69 47.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -37.5 -68.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.6 mmtm -67.78 -28.95 68.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.74 30.14 10.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.589 HG22 ' HA ' ' A' ' 72' ' ' ARG . 66.4 p -137.49 157.53 46.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -128.45 136.87 51.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.087 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.4 m-85 -120.86 125.2 46.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 ' CD2' ' A' ' 92' ' ' LEU . 31.9 t -130.93 141.98 44.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -108.62 120.52 42.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.485 HD13 ' CB ' ' A' ' 113' ' ' GLN . 14.8 mt -95.44 175.08 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.4 tp -58.49 -74.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -178.38 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -73.21 -16.07 78.69 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -63.99 -49.18 73.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.915 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.485 ' CB ' HD13 ' A' ' 108' ' ' LEU . 87.6 mt-30 -68.84 -33.4 73.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.9 -46.16 86.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -62.12 -45.05 95.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.63 -46.33 90.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.534 ' O ' ' CG ' ' A' ' 121' ' ' PHE . . . -64.38 -42.94 95.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.443 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 65.0 mt -68.04 -39.98 82.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -56.69 -46.93 80.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.3 m -78.49 -48.82 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.13 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' CG ' ' O ' ' A' ' 117' ' ' ALA . 10.8 m-30 -60.51 -28.75 68.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.472 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 47.3 t60 -71.01 161.26 31.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.472 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 9.9 pt20 46.17 26.04 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 53.9 p -98.49 169.23 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.822 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -137.84 152.09 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.524 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.4 tp -143.7 142.58 31.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 38.8 38.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 65.9 49.15 1.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.9 146.14 30.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.48 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 12.4 pt-20 -79.83 125.33 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.524 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.9 mt -103.76 133.06 49.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 m -110.14 121.04 44.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.435 HG22 HG12 ' A' ' 71' ' ' ILE . 16.9 t -127.05 137.42 57.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -155.69 162.1 40.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 26.0 mt -61.04 140.08 57.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.945 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.465 ' CG ' ' HD2' ' A' ' 137' ' ' PRO . 33.5 tt0 -56.62 139.35 75.93 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.624 0.726 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.515 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 53.7 Cg_endo -69.77 110.76 2.64 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.712 2.275 . . . . 0.0 112.32 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 80.4 m -55.28 -48.44 74.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 140' ' ' ALA . 1.7 m-20 -119.56 43.41 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HB2' ' CG ' ' A' ' 137' ' ' PRO . . . -34.08 -54.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 1.5 tt -42.91 137.8 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.61 129.86 41.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 56.9 m 38.8 52.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 29.1 t -50.05 130.35 22.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 94.53 172.58 38.11 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.551 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 147' ' ' SER . 53.9 Cg_endo -69.76 108.86 2.17 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.679 2.253 . . . . 0.0 112.374 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 146' ' ' PRO . 13.7 t 35.92 43.13 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 4.4 m -89.25 140.28 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.9 m -100.12 -49.63 4.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.9 t -41.33 -50.13 3.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 148.3 142.15 3.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.517 ' HB3' HD22 ' A' ' 135' ' ' LEU . 36.3 t -98.32 140.01 33.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.888 0.375 . . . . 0.0 110.879 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 64.2 p -86.01 -52.98 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.425 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . -47.02 160.0 0.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.447 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.8 pp -138.52 155.4 28.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 111.114 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 105' ' ' PHE . 9.6 tp -126.8 121.66 32.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 103' ' ' THR . 88.0 mt -109.31 144.97 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.625 ' HA ' HG22 ' A' ' 103' ' ' THR . 48.4 mtp85 -130.34 133.74 46.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.67 75.35 1.28 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.528 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 103' ' ' THR . 56.9 mt -104.01 154.39 38.16 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.607 0.718 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.43 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.3 Cg_endo -69.76 162.82 40.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.357 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.62 -7.49 65.08 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -118.06 19.09 13.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.868 0.366 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 78' ' ' VAL . 6.5 p -63.58 113.87 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 15.2 t -120.06 163.78 17.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.0 m120 -54.16 -31.3 52.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -66.14 -33.99 77.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.95 -45.16 90.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 15.3 m -69.37 -39.26 78.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -62.99 -48.04 80.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.61 -37.85 87.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 62.3 tp -63.49 -39.93 95.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.5 mt -112.5 35.75 3.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.0 t -82.53 16.79 1.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.94 -24.55 10.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.89 175.61 5.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -82.51 108.92 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.2 mt -89.09 91.42 8.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.9 mmtp -69.65 -37.58 76.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -143.32 131.96 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 17.0 p -126.01 126.86 44.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -142.03 132.85 25.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.436 HG21 ' HA ' ' A' ' 80' ' ' ASN . 83.1 t -124.55 117.84 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -108.07 94.08 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -65.51 -38.74 90.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -49.71 -58.41 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.823 ' O ' HG23 ' A' ' 103' ' ' THR . 35.1 mmtt -83.59 22.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 38.42 35.27 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 101' ' ' LYS . 78.8 p -138.13 168.88 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.759 0.314 . . . . 0.0 111.138 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.93 131.09 21.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' A' ' 70' ' ' LEU . 99.4 m-85 -109.49 124.04 50.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.4 t -128.68 141.64 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.6 m -116.38 117.44 29.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.483 HD13 ' CB ' ' A' ' 113' ' ' GLN . 11.1 mt -86.36 -179.77 6.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 -70.4 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 17.7 p30 -107.18 -176.65 3.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.33 -26.75 50.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.53 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -58.67 -46.67 86.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.769 0.319 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.9 mt-30 -64.86 -30.65 71.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.86 -46.61 71.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -60.4 -46.27 90.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.864 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.84 -46.09 91.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.63 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.26 -43.7 94.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.063 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 95.5 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.14 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -58.33 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 30.8 m -79.25 -48.7 13.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.63 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.7 m-30 -63.66 -26.53 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 50.2 t60 -69.89 158.89 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 30.3 pt20 40.75 40.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.2 p -107.85 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 72.3 mtm180 -139.92 143.43 36.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.655 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.7 tp -139.69 119.33 13.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 57.58 45.56 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 60.4 48.17 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -145.61 147.68 32.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 7.5 tp10 -84.31 124.91 31.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.655 HD11 ' CB ' ' A' ' 126' ' ' LEU . 15.7 mt -103.8 132.85 49.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 138.57 40.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.8 t -140.26 130.98 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -150.84 166.35 30.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.517 HD22 ' HB3' ' A' ' 66' ' ' SER . 27.7 mt -68.39 145.74 53.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.425 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 1.5 tt0 -82.0 139.47 46.13 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.533 0.682 . . . . 0.0 110.942 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 138.87 38.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.666 2.244 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 23.5 m -78.72 138.93 38.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 46.71 47.9 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.29 146.15 51.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.476 HD23 ' C ' ' A' ' 141' ' ' LEU . 6.3 tt -78.37 117.86 20.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.2 mp -92.15 -53.6 4.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . 0.456 ' C ' HD21 ' A' ' 141' ' ' LEU . 4.6 t -100.34 106.85 18.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 60.2 p -98.18 130.53 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 164.74 -102.34 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.454 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 87.97 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.341 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 13.6 m -141.74 160.75 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 97.9 p -38.89 132.17 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.501 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 89.6 p -75.66 169.82 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.862 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 89.1 p -171.67 166.88 6.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.4 ' C ' ' HA3' ' A' ' 111' ' ' GLY . . . -160.1 159.91 31.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.491 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -121.69 126.67 49.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.861 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.1 p -50.59 -179.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.38 132.04 6.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.662 HG22 HD11 ' A' ' 118' ' ' ILE . 2.0 pp -139.87 164.68 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.615 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.6 tp -138.2 125.97 22.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.484 HG12 HG22 ' A' ' 133' ' ' VAL . 55.4 mt -114.02 141.49 29.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HA ' HG22 ' A' ' 103' ' ' THR . 28.2 mtp85 -122.43 132.57 54.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 79.3 1.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.8 mt -106.42 150.48 39.55 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.4 Cg_endo -69.81 156.22 63.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.656 2.237 . . . . 0.0 112.398 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.16 -17.97 56.82 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.532 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -103.51 13.69 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.646 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.7 p -66.01 108.95 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.7 t -118.16 170.53 8.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.45 ' HA ' HG21 ' A' ' 97' ' ' VAL . 2.1 m-20 -56.42 -31.03 63.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -65.1 -34.36 78.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -46.11 79.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 80' ' ' ASN . 27.5 m -70.0 -40.37 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.414 ' N ' HG23 ' A' ' 83' ' ' VAL . 5.3 m-70 -63.55 -48.16 78.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -64.49 -37.77 88.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.5 tp -63.57 -41.51 98.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 108' ' ' LEU . 14.0 mt -114.21 34.43 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p -73.97 -48.44 30.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.82 -37.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -93.05 173.73 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -87.0 107.85 18.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.41 ' CD2' HG11 ' A' ' 106' ' ' VAL . 53.8 mt -79.49 94.32 5.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' A' ' 109' ' ' LEU . 4.2 mptp? -69.5 -43.04 73.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -139.48 133.02 30.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 22.4 p -118.53 129.83 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 11.5 t80 -142.05 121.05 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.45 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.6 t -121.82 118.22 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -117.12 100.89 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 100' ' ' TYR . 19.2 ptmt -74.8 -44.22 50.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 99' ' ' LYS . 19.4 m-85 -37.14 -67.49 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -68.74 -35.04 76.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.2 29.5 6.73 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 72' ' ' ARG . 47.9 p -135.12 163.03 30.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.8 128.89 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' ' 70' ' ' LEU . 97.9 m-85 -110.55 123.47 50.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 92' ' ' LEU . 28.2 t -132.5 132.68 60.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.7 m -104.08 112.94 26.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.452 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.6 mt -82.17 176.63 9.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD1' ' HE3' ' A' ' 93' ' ' LYS . 31.3 tp -51.36 -63.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.426 ' ND2' ' HB2' ' A' ' 112' ' ' GLU . 0.2 OUTLIER -136.24 -175.31 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.4 ' HA3' ' C ' ' A' ' 65' ' ' GLY . . . -67.9 -24.81 74.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.474 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.426 ' HB2' ' ND2' ' A' ' 110' ' ' ASN . 41.6 mm-40 -60.83 -48.92 79.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.452 ' CB ' HD13 ' A' ' 108' ' ' LEU . 56.7 mt-30 -67.18 -33.8 76.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -67.01 -46.12 75.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.73 -46.95 88.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.706 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.47 -42.63 78.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.108 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.662 HD11 HG22 ' A' ' 69' ' ' ILE . 86.4 mt -67.09 -39.89 84.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -55.06 -47.64 74.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 56.8 m -79.21 -49.06 13.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.706 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -58.53 -29.98 66.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 35.8 t60 -71.04 159.29 35.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 5.6 pt20 49.54 28.32 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 80.3 p -100.3 170.78 8.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -138.33 145.51 41.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.57 ' CB ' HD11 ' A' ' 131' ' ' LEU . 21.5 tp -141.89 142.35 33.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.0 ptt85 40.61 39.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 62.2 51.75 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.484 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.37 146.93 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.819 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.484 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 14.8 tp10 -79.73 125.37 29.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.57 HD11 ' CB ' ' A' ' 126' ' ' LEU . 9.1 mt -104.4 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.6 m -112.03 125.93 54.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.484 HG22 HG12 ' A' ' 71' ' ' ILE . 38.3 t -128.88 135.65 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -151.11 165.75 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 39.1 mt -77.17 139.77 40.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -54.62 151.27 15.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 110.958 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 133.92 26.82 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 139' ' ' ASP . 7.4 t -45.09 -42.8 9.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.421 ' N ' HG23 ' A' ' 138' ' ' THR . 32.2 t70 -131.61 118.11 19.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.74 ' C ' HD12 ' A' ' 141' ' ' LEU . . . -112.75 32.8 5.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.74 HD12 ' C ' ' A' ' 140' ' ' ALA . 7.0 mp -137.67 -176.79 4.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.934 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 7.9 mt -118.37 144.34 45.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 10.7 m -128.38 175.33 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.0 t -141.73 153.94 44.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.431 ' N ' ' HD2' ' A' ' 146' ' ' PRO . . . -52.38 -62.09 6.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 145' ' ' GLY . 53.0 Cg_endo -69.79 -8.91 24.79 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.697 2.265 . . . . 0.0 112.296 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 46.3 t -39.97 114.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 59.8 p 38.9 42.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.1 t -153.61 139.56 18.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.0 t -100.26 -55.32 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.839 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 93.56 57.52 1.34 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -65.26 117.79 8.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 110.94 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.7 p -108.35 155.46 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.839 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 131.89 149.43 6.35 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.54 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.831 HG22 HD11 ' A' ' 118' ' ' ILE . 2.6 pp -134.61 160.09 41.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.126 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD13 ' CE1' ' A' ' 105' ' ' PHE . 10.5 tp -138.72 128.43 24.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.493 HG12 HG22 ' A' ' 133' ' ' VAL . 52.4 mt -116.7 141.03 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -123.59 134.02 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.56 74.0 1.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD22 HG21 ' A' ' 78' ' ' VAL . 42.0 mt -98.82 152.42 37.82 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.632 0.73 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.47 ' O ' HG12 ' A' ' 78' ' ' VAL . 54.1 Cg_endo -69.7 164.81 33.06 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.724 2.283 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.5 -15.93 73.38 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.472 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.47 18.31 20.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 78' ' ' VAL . 7.5 p -62.84 110.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 14.0 t -119.52 165.34 14.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.463 ' HA ' HG21 ' A' ' 97' ' ' VAL . 6.6 p30 -53.92 -31.09 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -64.07 -34.0 77.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -63.99 -46.03 86.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 80' ' ' ASN . 11.7 m -69.79 -39.11 77.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -63.78 -47.96 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -62.85 -37.83 88.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.499 HD11 ' CE1' ' A' ' 121' ' ' PHE . 60.0 tp -62.83 -41.42 99.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.48 ' CB ' HD21 ' A' ' 92' ' ' LEU . 15.6 mt -109.27 33.69 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.7 t -81.15 11.86 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -109.79 -20.65 12.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -113.63 178.99 4.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.675 ' O ' HD23 ' A' ' 108' ' ' LEU . 3.5 mp0 -83.57 106.97 15.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 87' ' ' LEU . 30.3 mt -86.56 87.86 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 0.9 OUTLIER -59.12 -45.6 90.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 30.4 t80 -150.07 134.36 17.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 15.5 p -118.58 130.03 55.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 31.1 t80 -133.2 131.92 40.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 80' ' ' ASN . 90.2 t -126.11 123.88 64.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -116.98 105.56 12.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.482 ' HG3' ' CD1' ' A' ' 100' ' ' TYR . 6.0 ptpp? -81.13 -24.76 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.482 ' CD1' ' HG3' ' A' ' 99' ' ' LYS . 2.0 m-85 -63.51 -64.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -70.68 -30.15 66.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' C ' HD12 ' A' ' 74' ' ' LEU . . . 93.14 28.34 11.96 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.465 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.405 ' C ' HD11 ' A' ' 74' ' ' LEU . 40.6 p -134.53 156.95 47.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 0.0 111.092 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.67 129.09 46.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.596 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.1 m-85 -110.81 124.31 51.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG11 HD13 ' A' ' 87' ' ' LEU . 46.1 t -124.53 137.61 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 4.3 m -110.62 116.45 31.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.675 HD23 ' O ' ' A' ' 91' ' ' GLU . 11.8 mt -94.16 175.2 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.22 -62.26 1.81 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.429 ' CG ' ' OE1' ' A' ' 113' ' ' GLN . 22.4 p30 -118.01 -178.83 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -80.36 -25.88 56.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.529 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.65 -47.97 82.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.827 0.346 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.579 ' CB ' HD13 ' A' ' 108' ' ' LEU . 16.0 mt-30 -62.36 -37.6 86.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.69 -46.43 82.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -63.05 -45.91 90.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.23 -45.45 93.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.892 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.29 -43.69 81.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.831 HD11 HG22 ' A' ' 69' ' ' ILE . 85.2 mt -66.01 -39.99 86.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -55.25 -47.14 75.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 91.2 m -78.12 -49.01 14.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.111 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.892 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.08 -27.6 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.557 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 21.0 t-80 -69.55 167.66 16.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.557 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 14.5 pt20 43.57 25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 60.0 p -95.06 174.43 7.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 mtm-85 -136.68 152.27 50.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.482 ' CB ' HD11 ' A' ' 131' ' ' LEU . 45.4 tp -149.34 121.81 8.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp180 52.97 47.31 24.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 57.75 51.16 9.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.12 140.68 22.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 4.5 pm0 -80.13 134.43 36.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 126' ' ' LEU . 11.6 mt -112.57 132.68 55.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.929 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.0 m -109.71 120.01 41.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.493 HG22 HG12 ' A' ' 71' ' ' ILE . 43.0 t -123.77 138.67 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -152.21 163.56 39.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.83 143.04 58.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -60.61 151.88 69.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 54.0 Cg_endo -69.75 133.58 25.94 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.5 t -54.85 -31.01 58.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -132.96 110.37 10.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.823 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.611 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -131.86 38.5 3.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.4 tp -138.45 137.77 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.7 tt -84.71 110.33 18.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 10.8 m -144.35 178.36 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 1.5 t -154.83 160.2 41.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -153.76 173.99 32.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.481 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 1.05 4.78 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.363 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 95.1 p -64.7 142.19 58.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 149' ' ' GLY . 75.5 m -60.92 112.36 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 148' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.8 t -86.25 86.2 7.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 27.2 t -69.67 154.63 41.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.826 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.64 145.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.461 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 67' ' ' SER . 3.4 m -144.75 130.88 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 114' ' ' ALA . 70.7 m -36.55 -57.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -36.48 137.04 0.5 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.643 HG22 HD11 ' A' ' 118' ' ' ILE . 2.8 pp -121.1 161.31 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.785 HD13 ' CE1' ' A' ' 105' ' ' PHE . 8.1 tp -130.5 133.96 46.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.611 ' N ' HD12 ' A' ' 70' ' ' LEU . 78.3 mt -129.03 140.9 48.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.457 ' HA ' HG22 ' A' ' 103' ' ' THR . 44.6 mtt180 -130.82 133.36 45.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.6 70.82 1.13 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD11 ' C ' ' A' ' 103' ' ' THR . 36.8 mt -97.48 152.55 38.26 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.579 0.704 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.4 Cg_endo -69.79 168.18 22.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -74.69 -6.0 75.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.521 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -122.15 25.17 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.822 0.344 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.601 ' O ' HG13 ' A' ' 78' ' ' VAL . 12.3 p -71.55 115.82 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 t -119.95 161.1 21.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.456 ' HA ' HG21 ' A' ' 97' ' ' VAL . 7.1 p30 -54.21 -31.98 54.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -65.82 -33.98 77.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -64.29 -45.88 86.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.429 HG21 ' CG2' ' A' ' 97' ' ' VAL . 16.3 m -69.43 -43.81 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.41 ' N ' HG23 ' A' ' 83' ' ' VAL . 13.9 m-70 -59.42 -48.0 83.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.87 -37.57 88.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.3 tp -62.95 -40.82 98.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 117' ' ' ALA . 13.5 mt -113.17 34.55 4.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 p -74.74 -46.46 37.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -38.85 -40.89 0.68 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.847 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.61 177.54 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -88.58 106.99 18.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.482 ' CD2' HG11 ' A' ' 106' ' ' VAL . 38.5 mt -83.53 95.85 8.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -73.41 -29.32 62.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 95' ' ' CYS . 4.5 t80 -162.02 131.77 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.907 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 94' ' ' TYR . 36.8 t -126.06 130.05 50.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.408 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 71.1 t80 -132.15 121.06 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 80' ' ' ASN . 94.8 t -119.34 118.34 57.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -116.62 95.59 5.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 19.4 ptmt -66.82 -42.56 85.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.481 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 17.2 m-85 -35.6 -65.82 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -71.72 -31.83 67.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 97.7 28.94 8.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.498 ' C ' HD11 ' A' ' 74' ' ' LEU . 66.6 p -133.59 164.21 27.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.73 0.3 . . . . 0.0 111.168 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -134.37 136.04 43.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.785 ' CE1' HD13 ' A' ' 70' ' ' LEU . 92.6 m-85 -124.37 123.37 40.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.482 HG11 ' CD2' ' A' ' 92' ' ' LEU . 34.1 t -130.02 147.44 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 88.2 m -115.47 116.21 27.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.514 HD13 ' CB ' ' A' ' 113' ' ' GLN . 12.8 mt -87.69 -178.97 6.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.3 tp -68.2 -69.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -116.44 -176.95 3.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.61 -18.83 74.84 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 4.4 pt-20 -65.06 -43.81 91.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.514 ' CB ' HD13 ' A' ' 108' ' ' LEU . 20.9 mt-30 -69.36 -33.21 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -67.54 -44.95 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -60.85 -46.11 91.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.58 96.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.772 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -66.94 -43.39 83.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.643 HD11 HG22 ' A' ' 69' ' ' ILE . 86.0 mt -67.03 -39.86 84.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.089 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -57.11 -45.81 83.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 22.4 m -78.6 -49.12 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.772 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 12.9 m-30 -59.55 -31.8 69.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 42.7 t60 -66.01 156.69 32.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 11.6 pt20 47.71 33.77 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 55.5 p -103.4 171.24 7.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -140.41 150.77 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.637 ' CB ' HD11 ' A' ' 131' ' ' LEU . 15.6 tp -145.29 125.65 13.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.448 ' CZ ' ' HB3' ' A' ' 127' ' ' ARG . 11.6 mtp-105 52.65 44.6 29.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 60.63 51.96 4.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.476 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -148.54 146.73 28.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.476 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 1.2 tm-20 -83.42 121.03 26.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.637 HD11 ' CB ' ' A' ' 126' ' ' LEU . 7.0 mt -101.38 132.93 46.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.11 135.0 45.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.505 HG22 HG12 ' A' ' 71' ' ' ILE . 38.7 t -143.68 130.9 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -154.56 166.63 32.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 30.0 mt -68.45 145.15 54.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -53.08 151.0 9.59 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.564 0.697 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.36 62.47 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.722 2.281 . . . . 0.0 112.33 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 65.8 m -50.96 -53.42 33.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -106.35 96.4 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.97 -54.15 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 141' ' ' LEU . 0.5 OUTLIER -72.77 116.41 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 9.8 tp -111.89 146.93 36.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 31.7 p -130.77 133.62 46.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 145' ' ' GLY . 14.2 t -103.08 -53.23 2.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 144' ' ' SER . . . -36.91 146.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -49.55 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.241 . . . . 0.0 112.37 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 24.8 m -154.8 105.98 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 47.8 m -54.38 156.27 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.1 m -38.38 143.03 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 m -139.0 120.41 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.59 109.22 0.39 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.8 p -129.36 130.28 45.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.893 0.378 . . . . 0.0 110.882 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.0 m -97.41 -44.52 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.94 149.54 0.35 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.7 pp -127.12 161.82 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.366 . . . . 0.0 111.113 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD13 ' CE2' ' A' ' 105' ' ' PHE . 8.5 tp -136.49 128.4 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 70' ' ' LEU . 56.4 mt -120.62 144.97 27.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.103 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.428 ' HA ' HG22 ' A' ' 103' ' ' THR . 61.0 mtt180 -133.86 138.06 45.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 89.78 67.36 1.23 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -101.02 152.55 37.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.63 0.729 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.45 12.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -76.14 -17.08 80.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -106.83 15.49 25.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.597 ' O ' HG13 ' A' ' 78' ' ' VAL . 11.7 p -62.67 111.15 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.6 t -119.09 166.03 13.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.178 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.477 ' O ' HG22 ' A' ' 83' ' ' VAL . 28.7 m-80 -54.06 -31.09 50.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -64.32 -34.03 77.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -64.03 -45.94 86.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 80' ' ' ASN . 16.4 m -68.69 -39.04 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -63.8 -48.03 78.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -63.48 -37.04 85.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.441 ' HG ' ' CZ ' ' A' ' 121' ' ' PHE . 65.7 tp -64.16 -41.73 97.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.9 mt -111.87 36.12 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.915 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -82.98 17.76 1.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -109.46 -26.36 10.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -105.75 -179.7 4.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.963 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -86.0 109.48 18.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 47.3 mt -88.96 95.5 10.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -77.06 -31.68 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 5.9 t80 -150.08 131.97 15.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 31.4 p -125.82 129.8 50.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 81.3 t80 -137.51 134.44 35.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 80' ' ' ASN . 79.6 t -134.51 118.32 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -116.63 101.19 8.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -70.15 -40.41 74.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -43.14 -65.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.31 31.43 7.2 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.428 HG22 ' HA ' ' A' ' 72' ' ' ARG . 60.8 p -135.27 169.31 17.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.19 130.19 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.618 ' CE2' HD13 ' A' ' 70' ' ' LEU . 96.3 m-85 -116.23 123.89 48.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.93 146.4 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 15.0 m -116.36 117.01 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.491 HD22 ' OE1' ' A' ' 113' ' ' GLN . 13.4 mt -91.27 176.24 6.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.42 ' HG ' ' CG ' ' A' ' 110' ' ' ASN . 51.1 tp -62.0 -71.97 0.14 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.42 ' CG ' ' HG ' ' A' ' 109' ' ' LEU . 9.4 m-80 -115.57 -175.94 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.75 -12.55 84.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.459 ' CG ' ' N ' ' A' ' 113' ' ' GLN . 5.3 pt-20 -68.75 -45.97 70.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.794 0.33 . . . . 0.0 110.865 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.491 ' OE1' HD22 ' A' ' 108' ' ' LEU . 55.3 mt-30 -69.83 -36.14 75.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -63.81 -46.34 85.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.081 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -61.02 -45.81 93.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.6 98.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.564 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -67.1 -43.57 82.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.057 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.471 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 78.5 mt -67.71 -39.96 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -56.83 -47.17 80.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 60.8 m -78.16 -48.93 14.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.564 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 10.3 m-30 -61.27 -27.66 68.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.471 ' CB ' ' O ' ' A' ' 118' ' ' ILE . 62.6 t60 -70.52 162.12 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 20.4 pt20 42.71 29.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 52.3 p -99.89 176.23 5.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.402 ' HB2' ' NH1' ' A' ' 125' ' ' ARG . 26.3 mtm105 -142.24 151.25 41.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.667 ' CB ' HD11 ' A' ' 131' ' ' LEU . 16.9 tp -146.56 127.06 14.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 53.66 40.91 32.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 62.48 53.14 2.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -151.64 144.95 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.444 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 3.9 tp10 -80.6 124.19 28.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.667 HD11 ' CB ' ' A' ' 126' ' ' LEU . 10.9 mt -103.82 130.59 51.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -103.34 128.29 50.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.455 HG12 HG23 ' A' ' 118' ' ' ILE . 48.6 t -130.58 134.2 62.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -154.1 164.94 37.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 31.3 mt -69.21 144.09 53.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -88.5 139.08 29.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.618 0.723 . . . . 0.0 110.939 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.4 Cg_endo -69.77 132.1 22.6 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.304 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 27.5 m -65.8 138.9 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 40.61 41.75 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.496 ' HB2' ' HG2' ' A' ' 137' ' ' PRO . . . -37.14 -48.87 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.69 170.54 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 40.7 tp -122.87 109.58 14.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 50.2 t -46.5 149.08 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 4.5 t -63.87 127.92 33.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 111.0 66.02 0.53 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.475 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 90.32 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.352 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 8.7 t -89.9 123.39 33.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 63.7 m -128.24 42.12 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.6 m -77.05 -57.0 4.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.893 0.378 . . . . 0.0 110.868 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 51.2 p -149.21 168.13 24.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 152.77 -52.37 0.48 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.512 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 p -60.05 147.75 38.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 0.0 110.901 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.1 p -41.58 152.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 140.15 145.15 4.61 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.626 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -137.7 162.23 32.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 111.135 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 105' ' ' PHE . 5.8 tp -141.04 127.43 19.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG12 HG22 ' A' ' 133' ' ' VAL . 67.0 mt -117.92 145.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HA ' HG22 ' A' ' 103' ' ' THR . 70.8 mtt180 -133.67 131.92 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.11 68.44 1.1 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 78' ' ' VAL . 37.9 mt -92.59 152.84 42.34 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.574 0.702 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.455 ' HG3' HD21 ' A' ' 126' ' ' LEU . 53.2 Cg_endo -69.78 165.61 30.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.363 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.51 -14.29 72.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -112.24 22.03 15.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.9 p -68.62 117.47 10.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.1 t -119.77 159.0 25.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.176 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.509 ' HA ' HG21 ' A' ' 97' ' ' VAL . 0.8 OUTLIER -54.03 -31.14 50.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -66.69 -34.24 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -64.58 -45.74 85.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 97' ' ' VAL . 15.8 m -69.66 -39.33 78.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.23 -47.93 77.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -64.95 -37.36 87.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.3 tp -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.674 HD21 ' HB1' ' A' ' 117' ' ' ALA . 14.7 mt -114.67 30.36 7.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.9 p -73.76 -43.79 57.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -41.56 -41.3 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.455 ' HB2' HD21 ' A' ' 108' ' ' LEU . 13.7 m-85 -87.59 177.05 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -87.38 108.6 19.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.424 ' CD2' HG11 ' A' ' 106' ' ' VAL . 64.4 mt -85.24 95.77 9.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -76.88 -37.74 54.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.519 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 15.5 t80 -138.32 131.95 30.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.944 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 19.9 p -121.71 128.88 52.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 94' ' ' TYR . 63.1 t80 -142.07 121.14 12.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' A' ' 80' ' ' ASN . 53.7 t -124.0 118.34 53.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.085 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.435 ' OD1' ' C ' ' A' ' 98' ' ' ASP . 29.0 t0 -116.93 96.06 5.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -67.97 -41.22 82.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -38.95 -68.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.5 mmtt -67.39 -37.79 83.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.925 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.01 28.54 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.521 HG22 ' HA ' ' A' ' 72' ' ' ARG . 44.7 p -132.4 170.23 15.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.145 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.16 129.25 20.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 70' ' ' LEU . 94.3 m-85 -111.35 124.55 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 ' CD2' ' A' ' 92' ' ' LEU . 49.0 t -132.89 132.83 59.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.3 m -106.19 118.98 38.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.135 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.666 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.1 mt -86.29 179.92 6.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.2 tp -78.16 -62.44 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.28 177.8 4.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.65 -31.37 33.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.441 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -58.29 -44.04 88.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.666 ' CB ' HD13 ' A' ' 108' ' ' LEU . 30.6 mt-30 -62.29 -37.68 86.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 108' ' ' LEU . . . -68.01 -45.93 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -60.1 -46.8 88.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.52 -45.62 93.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.077 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.864 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.2 -44.13 92.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.577 HG23 HG12 ' A' ' 133' ' ' VAL . 96.8 mt -67.58 -39.72 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -59.29 -42.35 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 62.2 m -79.51 -49.12 12.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.864 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 13.1 m-30 -60.7 -34.19 74.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.497 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 44.3 t60 -65.45 159.72 23.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 7.4 pt20 48.4 28.55 1.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.8 p -105.76 166.52 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.503 ' CA ' HD12 ' A' ' 131' ' ' LEU . 57.1 mtt180 -139.21 145.64 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.525 ' CB ' HD11 ' A' ' 131' ' ' LEU . 22.8 tp -140.06 121.25 14.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.508 ' O ' ' CG ' ' A' ' 128' ' ' GLU . 26.4 mmt180 60.4 54.65 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 127' ' ' ARG . 6.9 pt-20 47.89 42.21 15.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.477 ' HD3' ' N ' ' A' ' 130' ' ' GLU . 0.0 OUTLIER -133.6 149.96 51.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.477 ' N ' ' HD3' ' A' ' 129' ' ' ARG . 33.4 tt0 -85.29 125.26 32.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.525 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.4 mt -106.73 132.99 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.9 m -113.08 120.13 40.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.577 HG12 HG23 ' A' ' 118' ' ' ILE . 48.4 t -124.08 138.28 54.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.162 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.469 ' CG ' HD23 ' A' ' 70' ' ' LEU . 6.1 pt20 -155.36 162.27 40.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 118' ' ' ILE . 27.3 mt -61.77 144.75 54.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.57 139.68 67.44 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.911 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.462 ' CG ' ' HB2' ' A' ' 140' ' ' ALA . 53.8 Cg_endo -69.75 157.64 59.71 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.34 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 28.3 m -97.62 -45.01 6.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.142 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -119.16 41.21 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.462 ' HB2' ' CG ' ' A' ' 137' ' ' PRO . . . -44.78 -50.63 10.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 27.8 mt -47.0 121.82 3.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.0 mt -88.21 105.57 17.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 20.0 p -156.21 137.03 13.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 62.9 p -68.99 147.87 50.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 157.01 79.11 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -19.07 36.48 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.701 2.267 . . . . 0.0 112.332 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 7.6 t -132.85 89.44 2.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 6.8 t -74.29 92.57 2.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 p 41.1 42.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.872 0.368 . . . . 0.0 110.836 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 80.3 p -139.16 157.7 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.26 58.2 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.486 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 t -118.73 38.92 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.369 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 114' ' ' ALA . 77.8 p -57.63 -12.75 3.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.816 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.34 153.88 52.91 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.57 ' C ' HD12 ' A' ' 69' ' ' ILE . 2.3 pp -139.3 158.48 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.36 . . . . 0.0 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.625 HD13 ' CE1' ' A' ' 105' ' ' PHE . 7.9 tp -136.86 124.53 22.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -112.29 144.0 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' THR . 36.1 mtp85 -129.92 132.03 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.3 80.33 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.458 HD22 HG21 ' A' ' 78' ' ' VAL . 79.1 mt -106.64 151.68 40.51 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.504 ' HG3' HD21 ' A' ' 126' ' ' LEU . 54.2 Cg_endo -69.78 156.75 62.47 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.703 2.268 . . . . 0.0 112.363 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.75 -12.68 48.67 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -111.72 18.84 18.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.856 0.36 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.611 ' O ' HG13 ' A' ' 78' ' ' VAL . 14.3 p -67.89 113.69 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -117.93 164.22 15.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.192 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.491 ' HA ' HG21 ' A' ' 97' ' ' VAL . 66.8 m-80 -56.28 -31.08 63.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.857 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -66.78 -35.84 81.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 26.3 tp10 -65.42 -46.04 81.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.43 HG21 ' CG2' ' A' ' 97' ' ' VAL . 28.4 m -70.03 -40.39 78.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -62.48 -48.11 81.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -62.3 -37.18 84.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 66.4 tp -61.76 -41.97 98.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.2 mt -114.5 30.46 7.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.0 p -72.88 -48.7 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.815 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -39.47 -41.15 0.94 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -87.54 177.11 7.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -87.22 109.64 19.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 106' ' ' VAL . 60.5 mt -86.12 93.45 9.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -74.67 -37.94 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 96' ' ' PHE . 9.0 t80 -137.39 132.68 33.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 21.0 p -125.22 129.05 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.489 ' CE1' ' HB2' ' A' ' 98' ' ' ASP . 22.9 t80 -141.98 121.38 13.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.491 HG21 ' HA ' ' A' ' 80' ' ' ASN . 52.2 t -122.8 117.43 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.076 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.489 ' HB2' ' CE1' ' A' ' 96' ' ' PHE . 13.8 t70 -116.7 94.03 4.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' HG3' ' N ' ' A' ' 100' ' ' TYR . 4.1 ptmm? -65.9 -45.91 80.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.446 ' N ' ' HG3' ' A' ' 99' ' ' LYS . 8.5 m-85 -35.22 -68.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -37.51 80.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.04 34.53 4.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 72' ' ' ARG . 64.5 p -135.9 168.06 20.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.78 0.324 . . . . 0.0 111.158 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -141.01 129.58 22.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.625 ' CE1' HD13 ' A' ' 70' ' ' LEU . 98.0 m-85 -112.12 123.03 49.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG11 ' CD2' ' A' ' 92' ' ' LEU . 38.6 t -132.98 135.77 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.3 m -109.21 121.43 45.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.779 HD13 ' CB ' ' A' ' 113' ' ' GLN . 13.7 mt -87.46 177.59 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.4 tp -73.1 -63.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 27.5 p30 -108.78 -174.65 2.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -87.39 -27.56 27.29 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -58.89 -40.88 85.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.779 ' CB ' HD13 ' A' ' 108' ' ' LEU . 72.2 mt-30 -66.27 -37.96 86.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 67' ' ' SER . . . -64.78 -46.26 82.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -60.39 -46.53 89.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.5 -47.68 85.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.172 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.62 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -64.59 -43.1 94.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.466 ' O ' ' CB ' ' A' ' 122' ' ' HIS . 89.9 mt -67.02 -40.01 84.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -57.33 -47.57 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 40.0 m -76.95 -48.96 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.62 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 11.0 m-30 -61.52 -29.02 69.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.478 ' O ' ' CG ' ' A' ' 123' ' ' GLN . 39.3 t60 -66.87 157.28 33.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 122' ' ' HIS . 16.5 pt20 45.27 28.87 0.48 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.2 p -96.81 171.34 8.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -142.02 151.68 42.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.504 HD21 ' HG3' ' A' ' 75' ' ' PRO . 14.2 tp -145.5 128.01 16.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 48.59 44.38 20.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 61.37 53.91 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -148.85 142.9 25.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.854 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -80.01 121.2 25.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.48 HD11 ' CB ' ' A' ' 126' ' ' LEU . 8.3 mt -100.94 131.71 46.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -104.8 137.66 42.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 38.4 t -141.57 130.97 24.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -155.98 161.02 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.58 142.88 56.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -45.85 141.73 4.09 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.611 0.719 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 124.71 11.37 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 16.6 p -46.06 144.69 1.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.6 t0 54.14 43.45 30.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -68.64 -44.35 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 80.0 mt -89.07 149.77 23.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.3 mp -114.31 -41.56 3.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 11.5 t -62.37 86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.947 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 18.3 m -130.18 125.87 36.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -72.21 144.79 36.69 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 87.09 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.613 2.209 . . . . 0.0 112.334 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 94.1 p -164.15 153.45 13.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 32.1 t -81.94 153.63 26.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.853 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 37.2 p -70.29 171.8 9.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.866 0.365 . . . . 0.0 110.846 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -86.49 96.4 10.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -76.85 142.0 27.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.2 m -131.86 179.87 5.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.918 0.39 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.4 p -55.93 169.57 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' C ' ' HB3' ' A' ' 136' ' ' GLN . . . 90.95 131.39 4.97 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.959 HD11 ' HB ' ' A' ' 106' ' ' VAL . 0.2 OUTLIER -131.4 151.98 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.869 0.366 . . . . 0.0 111.086 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.672 HD13 ' CZ ' ' A' ' 105' ' ' PHE . 5.9 tp -127.47 127.46 44.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 70' ' ' LEU . 51.5 mt -117.3 133.74 63.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.754 ' HA ' HG22 ' A' ' 103' ' ' THR . 27.7 mtm180 -115.24 138.1 51.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.471 ' C ' ' NH2' ' A' ' 129' ' ' ARG . . . 85.73 80.65 1.14 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.516 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.2 mt -115.28 148.3 40.46 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.611 ' O ' HG12 ' A' ' 78' ' ' VAL . 53.5 Cg_endo -69.77 157.31 60.8 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.628 2.219 . . . . 0.0 112.348 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.82 0.01 16.56 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.558 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -114.96 2.86 14.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 0.0 110.846 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 75' ' ' PRO . 9.8 p -60.76 113.27 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 t -119.83 169.37 10.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.4 ' HA ' HG21 ' A' ' 97' ' ' VAL . 3.5 m120 -55.64 -31.16 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -67.12 -34.08 76.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -69.37 -46.48 66.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.1 m -70.27 -38.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -64.7 -48.07 76.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -61.81 -39.27 91.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.2 tp -63.74 -34.14 77.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.81 33.05 5.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.938 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.7 t -81.07 4.68 19.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.72 -24.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.85 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -109.74 173.27 6.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -78.96 109.6 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 ' CD2' HG11 ' A' ' 106' ' ' VAL . 30.5 mt -90.37 90.64 8.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -70.84 -34.96 72.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.463 ' O ' HG13 ' A' ' 106' ' ' VAL . 15.5 t80 -155.89 132.0 10.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 2.2 t -125.94 129.59 49.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -129.37 123.87 32.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.4 HG21 ' HA ' ' A' ' 80' ' ' ASN . 40.5 t -117.12 118.53 59.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.402 ' CG ' ' HG3' ' A' ' 101' ' ' LYS . 6.7 t0 -117.03 95.66 5.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -66.76 -26.97 67.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -63.72 -55.64 21.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.402 ' HG3' ' CG ' ' A' ' 98' ' ' ASP . 15.1 mttt -72.73 -14.9 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.9 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 74.32 20.06 79.7 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.495 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.754 HG22 ' HA ' ' A' ' 72' ' ' ARG . 82.4 p -135.45 160.76 37.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 0.0 111.186 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -127.09 132.2 50.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.672 ' CZ ' HD13 ' A' ' 70' ' ' LEU . 94.9 m-85 -117.14 127.14 53.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.959 ' HB ' HD11 ' A' ' 69' ' ' ILE . 98.2 t -130.81 149.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m -113.8 117.81 32.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.643 HD13 ' CB ' ' A' ' 113' ' ' GLN . 15.0 mt -94.07 177.0 6.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 15.5 tp -73.87 -74.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 16.0 p30 -102.99 179.05 4.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -79.41 -20.93 68.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -60.79 -46.95 88.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.643 ' CB ' HD13 ' A' ' 108' ' ' LEU . 26.6 mt-30 -65.49 -32.31 73.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.5 -46.84 71.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -64.27 -44.74 90.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.9 94.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -68.2 -43.22 78.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.543 ' CD1' HD23 ' A' ' 135' ' ' LEU . 91.4 mt -67.77 -40.03 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -55.43 -45.97 76.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 23.2 m -80.04 -48.99 12.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 117' ' ' ALA . 8.7 m-30 -61.14 -26.23 67.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . 0.5 ' CG ' ' N ' ' A' ' 123' ' ' GLN . 64.3 t60 -70.88 164.69 24.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.5 ' N ' ' CG ' ' A' ' 122' ' ' HIS . 0.0 OUTLIER 34.24 33.36 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 122' ' ' HIS . 28.4 p -97.59 178.0 5.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -140.16 147.69 40.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.693 ' CB ' HD11 ' A' ' 131' ' ' LEU . 19.4 tp -142.03 124.83 16.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.905 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 49.6 44.17 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 62.9 51.3 2.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.471 ' NH2' ' C ' ' A' ' 73' ' ' GLY . 0.0 OUTLIER -149.8 145.04 26.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -80.02 126.36 30.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.693 HD11 ' CB ' ' A' ' 126' ' ' LEU . 28.7 mt -105.73 130.02 53.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 m -104.14 120.43 41.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.45 HG21 ' C ' ' A' ' 121' ' ' PHE . 21.2 t -119.7 141.16 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -154.99 160.15 40.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 118' ' ' ILE . 48.1 mt -64.53 143.34 57.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.414 ' HB3' ' C ' ' A' ' 68' ' ' GLY . 3.2 tt0 -86.72 139.04 33.15 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.71 . . . . 0.0 110.919 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' A' ' 140' ' ' ALA . 53.4 Cg_endo -69.8 105.16 1.44 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.34 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 137' ' ' PRO . 66.8 p -36.96 -64.66 0.34 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.451 ' O ' ' HB3' ' A' ' 140' ' ' ALA . 11.9 p-10 -80.68 -52.51 7.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 139' ' ' ASP . . . 69.84 28.81 4.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.9 tp -96.41 -50.93 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 59.0 mt -122.36 148.56 44.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' CYS . . . . . . . . . . . . . 30.8 p -120.69 44.42 2.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' SER . . . . . . . . . . . . . 24.4 m -136.51 121.84 19.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 161.43 146.51 4.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 147.48 62.71 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.26 . . . . 0.0 112.289 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 74.7 m -108.35 -60.4 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' SER . . . . . . . . . . . . . 99.9 p -121.85 112.42 18.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.43 -179.995 . . . . . . . . 0 0 . 1 stop_ save_