data_2edn_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 2edn _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 ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -66.27 -39.21 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -73.4 87.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.36 -31.83 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 5.4 tmtt? -136.83 128.94 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 84.9 mttt -102.55 143.35 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.38 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.76 133.22 49.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.3 m -45.9 127.26 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.35 123.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -95.12 109.97 21.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -113.73 168.07 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.49 143.99 32.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -48.58 137.24 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.06 84.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -95.37 -179.94 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.71 120.82 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.93 155.18 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -150.95 127.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.77 145.22 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -123.37 131.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.0 151.99 29.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -129.16 162.43 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -141.16 124.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -75.51 102.88 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -42.8 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -46.64 -52.55 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -57.82 -32.29 67.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.52 142.63 43.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.435 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.0 Cg_endo -69.68 -45.32 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -128.78 177.11 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -59.72 121.88 61.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 159.77 52.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.36 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.7 m -108.57 113.21 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 47' ' ' ILE . 2.9 mp -91.69 118.11 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -138.4 126.6 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.43 ' CE3' HD21 ' A' ' 82' ' ' LEU . 79.0 m95 -98.85 124.76 43.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -118.8 158.38 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' CE2' ' A' ' 95' ' ' TYR . 47.1 tttt -121.44 120.1 33.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.68 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 5.2 ptpp? -57.5 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -76.11 46.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HG ' ' CG ' ' A' ' 53' ' ' LYS . 9.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -73.56 110.92 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -114.18 152.79 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -133.91 128.21 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -121.27 108.32 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.3 122.01 38.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -124.32 134.19 53.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.1 p80 -110.12 125.15 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -83.71 150.72 25.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.4 p -86.14 -44.34 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.34 -50.42 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -63.8 -48.13 78.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 74.67 34.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.32 133.65 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -92.48 108.22 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 m -94.27 108.42 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.8 m -109.72 140.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -137.66 129.05 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.43 HD21 ' CE3' ' A' ' 49' ' ' TRP . 28.4 tp -99.03 116.06 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.46 132.34 54.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.8 mt -127.11 128.71 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.55 16.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 58.82 49.3 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 m -61.82 147.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.22 163.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -25.74 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.91 -11.49 83.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.02 -36.11 11.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -53.36 149.52 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.91 -112.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -148.56 150.47 33.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 87.9 m-85 -130.53 178.77 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -153.2 128.73 9.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.1 tp -105.9 113.77 27.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -92.11 138.43 31.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.1 t -148.78 109.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -121.88 149.26 43.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -133.27 -174.81 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 101' ' ' ALA . 10.7 tptp -33.64 -58.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -131.27 -31.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.6 m -71.59 139.92 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 28.9 p -140.34 127.73 21.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.77 148.91 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.8 p -149.81 138.13 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.9 t -112.04 155.68 23.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.43 133.15 8.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.3 p90 -127.11 165.78 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.503 ' N ' HD21 ' A' ' 111' ' ' ASN . 0.8 OUTLIER -134.55 131.98 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 95' ' ' TYR . 61.4 mt -111.77 151.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.75 140.23 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.6 93.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.44 130.33 42.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.137 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.54 -39.94 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.6 m-85 -77.02 92.18 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.81 -30.76 64.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -151.28 128.75 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -93.58 148.56 35.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.7 . . . . 0.0 110.939 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.62 4.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -84.63 138.63 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 p -50.06 133.26 23.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.59 120.99 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -85.34 113.32 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -118.05 163.2 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -108.27 137.34 46.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -43.63 135.2 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.27 1.03 82.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -105.48 -177.56 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.5 121.52 44.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.27 147.85 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.06 129.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.55 147.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.73 135.89 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.16 132.69 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.37 156.85 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -141.28 123.2 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.61 121.92 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.04 -34.16 15.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -55.79 -58.46 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -51.8 -41.24 61.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.49 143.62 90.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -45.25 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -135.69 -176.57 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -60.77 123.41 74.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 162.77 40.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -104.45 112.83 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -85.87 119.08 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -151.22 125.27 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' PHE . 82.1 m95 -99.59 136.48 39.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.98 162.79 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.5 tttt -118.43 114.58 23.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.16 -92.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.4 ttpt -54.96 176.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.64 48.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -80.2 121.82 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -138.32 159.84 41.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD1' ' CD1' ' A' ' 49' ' ' TRP . 3.1 m-85 -144.26 117.61 9.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -108.69 128.26 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -117.87 135.16 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -112.76 102.54 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.86 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -96.85 156.33 16.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -100.24 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.7 -74.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -59.78 -25.2 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 61.4 42.98 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.91 150.17 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -110.58 113.48 26.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.6 m -103.69 110.47 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 m -109.69 139.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -132.47 135.35 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.14 120.62 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -112.66 122.02 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.4 mt -125.07 102.69 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 152.06 30.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.0 mttp 53.48 53.01 12.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.2 m -61.07 165.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.5 m -150.7 165.02 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -28.19 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.438 ' O ' ' NZ ' ' A' ' 51' ' ' LYS . . . -72.34 -21.68 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -79.61 -34.44 40.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -58.2 147.72 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.26 -112.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 2.7 t80 -150.16 146.14 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.474 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 81.1 m-85 -128.1 170.31 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -138.29 130.94 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 tp -109.52 121.86 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -98.94 141.8 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.85 111.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -138.94 130.78 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.97 -75.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -121.31 -70.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.34 -19.6 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.8 m -81.83 128.32 33.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 22.8 p -119.64 120.05 35.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.5 OUTLIER -137.95 134.37 34.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.2 p -139.39 154.41 47.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m -152.4 135.96 16.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 169.16 13.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.0 p90 -144.73 166.99 23.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.28 136.8 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.65 147.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.48 128.02 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.97 92.54 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.35 126.3 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.083 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 p -55.29 -40.36 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.19 97.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.76 -33.26 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -149.6 128.85 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -92.89 152.92 41.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.516 0.674 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 102.14 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.73 142.61 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -55.59 142.87 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 m -130.89 125.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -92.1 118.33 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -120.91 167.4 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -114.12 137.59 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -40.24 125.27 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.32 -3.05 63.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -98.88 175.7 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.36 120.95 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 153.86 23.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.547 HG22 ' CE1' ' A' ' 83' ' ' HIS . 18.5 t -143.42 132.42 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.15 116.0 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 151.52 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.82 124.65 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -98.53 143.38 29.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -131.38 123.25 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.79 111.37 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.51 -45.05 30.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -49.08 -47.55 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.77 -40.26 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -79.73 141.51 55.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.76 3.12 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.53 -178.29 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -66.55 124.13 87.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.74 164.65 33.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -102.74 113.24 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -88.99 115.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -141.66 123.92 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -100.32 117.68 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 54' ' ' TRP . 60.5 m-85 -110.04 145.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 55' ' ' LEU . 19.0 ttmt -111.75 88.93 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.74 -92.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -99.7 87.55 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' LYS . 45.8 p-90 31.64 38.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.58 106.35 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -115.7 144.53 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -125.47 120.89 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -112.15 112.86 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -120.61 121.04 37.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -125.33 121.57 34.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -97.94 133.8 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.74 151.97 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -96.25 -27.01 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.29 -68.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.27 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 67.9 45.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -120.96 137.53 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -92.89 106.2 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.4 m -88.68 103.19 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.4 m -109.68 131.51 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -126.01 155.9 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 tp -129.51 102.56 6.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.547 ' CE1' HG22 ' A' ' 31' ' ' VAL . 12.1 m-70 -99.42 133.59 43.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -129.28 101.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.41 151.5 29.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 59.02 54.06 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.0 m -67.39 153.96 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.99 165.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -57.16 -23.17 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -7.62 88.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -96.79 -31.98 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -57.53 145.85 32.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.49 -117.13 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 2.1 t80 -150.92 140.75 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 36.1 m-85 -116.58 -175.2 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -161.25 128.76 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.42 116.99 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.59 124.42 41.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 45' ' ' PRO . 67.0 t -139.82 114.72 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -126.56 143.54 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 100' ' ' LYS . . . -127.95 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -39.77 -68.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -128.16 24.87 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 116.53 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.2 t -125.77 131.84 52.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.66 138.87 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.9 p -136.88 151.02 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.8 t -138.8 136.14 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.25 150.38 18.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -129.29 -175.16 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -133.89 142.89 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 113' ' ' ASP . 12.5 mt -130.32 137.63 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -122.71 135.38 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -118.49 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.27 135.42 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.137 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 41' ' ' LEU . 96.2 t -93.48 -49.75 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.99 99.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.14 -41.46 92.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -139.12 128.78 24.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -94.27 151.36 39.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.79 155.52 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -69.52 129.24 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 m -122.86 123.55 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.65 113.16 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.71 168.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.66 137.97 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -42.69 131.23 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.25 1.34 78.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -102.96 177.63 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.51 120.66 42.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 154.48 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.74 130.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' CE2' ' A' ' 110' ' ' PHE . 63.2 t -123.09 136.56 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.64 129.68 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.38 124.97 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -101.77 155.87 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -140.36 129.19 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 36.4 t-20 -71.85 108.2 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.14 -47.25 31.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.85 -49.71 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 38.4 mm-40 -50.9 -44.01 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' A' ' 14' ' ' VAL . 6.6 mt -72.36 143.33 85.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -28.4 25.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.292 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -150.14 -178.16 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -63.57 120.75 65.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.5 41.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -100.83 112.77 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -85.33 114.7 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -140.09 133.19 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.76 144.81 39.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -138.4 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.4 ttmt -127.34 96.29 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.08 -76.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' LYS . 2.2 pttt -92.95 -174.95 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' LEU . 1.7 p90 -40.91 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD1' ' HE3' ' A' ' 53' ' ' LYS . 14.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 91' ' ' ASP . 15.7 ptt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -76.63 104.9 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.8 m -115.9 137.77 51.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.5 m-30 -111.96 117.87 33.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -104.03 108.34 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.2 136.43 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -134.1 103.1 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -91.26 124.33 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.34 146.74 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 p -85.55 -39.64 17.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.53 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -59.97 -39.0 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 69.91 45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 78' ' ' TYR . 7.2 p -124.02 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.457 ' N ' HG21 ' A' ' 77' ' ' VAL . 6.3 m-85 -97.16 110.59 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 m -98.37 100.1 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.6 m -101.93 137.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -132.58 138.0 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -108.42 118.28 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -107.54 131.4 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.47 107.67 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.04 152.07 22.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt 55.55 47.64 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 m -55.1 150.4 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.14 159.97 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.0 mm? -53.46 -19.49 3.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.24 -21.45 54.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 64' ' ' ARG . 8.6 m-20 -80.28 -26.51 38.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 4.4 ptt85 -65.58 151.41 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.59 -110.86 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.4 t80 -150.45 143.56 24.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 112' ' ' ILE . 49.3 m-85 -120.21 178.51 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -151.42 138.92 19.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.33 120.71 40.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -99.26 139.34 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -150.17 123.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -133.51 146.43 51.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 104' ' ' THR . . . -137.86 -176.45 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' ALA . 45.6 mttt -38.26 -71.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -125.0 29.01 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' ALA . 87.7 m -143.56 123.45 13.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.67 129.49 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.99 153.79 37.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.3 p -140.83 152.79 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.8 t -146.23 136.78 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.1 163.34 13.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 7.4 p90 -140.43 179.81 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -130.48 137.83 49.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.517 HD12 ' CE1' ' A' ' 95' ' ' TYR . 37.3 mt -123.96 144.14 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.7 129.08 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 81.3 t -110.25 91.53 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.13 143.79 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.068 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.55 -37.31 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.87 97.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.31 -32.27 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -148.71 129.28 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -101.22 146.22 31.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.65 14.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.49 132.62 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -40.49 137.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.44 126.16 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.34 115.26 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.01 168.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -101.07 153.07 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -60.19 136.59 58.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.81 -0.96 86.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -100.47 -175.03 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.25 121.0 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.16 148.81 26.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.5 126.13 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.81 118.52 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 34' ' ' ALA . 94.0 t -97.46 139.1 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 33' ' ' VAL . . . -159.05 129.1 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.64 156.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -139.89 125.77 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -74.08 121.86 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -44.43 7.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -47.85 -55.71 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -48.91 -42.45 37.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.5 140.38 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -44.45 2.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 11.2 t0 -127.55 -175.62 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -64.09 121.17 70.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 159.83 51.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 m -116.18 112.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.8 mp -85.89 134.15 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -158.26 126.92 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.554 ' CE3' HD21 ' A' ' 82' ' ' LEU . 59.5 m95 -99.64 127.19 45.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.44 140.6 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -103.42 103.9 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.7 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.4 ttpt -52.46 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.33 48.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -80.34 113.07 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -119.44 150.66 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -140.13 120.87 14.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -113.9 109.0 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -116.3 128.04 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -128.44 100.07 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -83.88 133.18 34.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.9 149.44 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -99.02 -9.65 23.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.24 -48.9 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -91.07 0.46 57.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 37.71 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.0 141.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -109.18 103.05 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -88.33 108.15 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.421 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 21.2 m -111.35 140.98 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.3 mp0 -135.97 126.72 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -100.62 108.77 20.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -105.94 130.9 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.9 mt -126.32 105.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.22 155.61 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt 56.02 42.61 28.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.06 167.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -152.71 170.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 -42.12 88.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.02 -21.94 56.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -77.52 -49.13 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 4.6 ptt-85 -43.94 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.77 -108.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -148.92 153.07 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HB2' ' CE1' ' A' ' 110' ' ' PHE . 89.2 m-85 -137.95 171.4 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -150.18 132.76 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.42 117.62 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -97.93 133.07 42.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.88 112.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -137.36 129.89 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' ASP . . . -98.35 -75.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -123.49 -71.33 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -113.67 -16.28 12.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 93.4 m -92.36 127.55 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.36 109.22 12.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.82 138.47 54.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 p -141.25 154.09 45.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.4 p -118.69 160.62 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -133.12 120.18 2.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 95' ' ' TYR . 52.6 p90 -132.21 164.76 25.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -125.49 151.29 46.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 113' ' ' ASP . 31.5 mt -126.04 149.48 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.4 m-20 -124.12 128.76 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 86.3 t -112.68 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.87 132.04 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.167 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.06 -20.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.88 95.19 10.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.27 -37.11 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -142.74 130.03 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -95.51 149.37 36.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.69 139.63 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 138.44 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.62 117.76 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -93.54 106.18 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.01 168.27 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -100.11 137.26 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -46.15 137.04 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -7.48 77.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 45.7 mmtt -94.66 -175.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.99 125.48 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.6 153.45 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -148.86 127.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.92 153.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.82 128.8 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.87 125.63 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -105.32 155.01 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.86 119.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -72.03 108.62 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.41 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -49.73 -55.74 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.303 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -53.61 -39.25 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.85 141.24 75.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -42.69 3.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.64 -178.9 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -63.06 119.19 49.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.57 65.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -103.44 113.06 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 47' ' ' ILE . 2.5 mp -89.25 128.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 70.5 mttt -149.36 123.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -93.01 115.99 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 95.2 m-85 -113.14 151.49 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -96.22 167.12 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -40.85 -34.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -91.8 -174.81 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -83.18 36.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.0 111.45 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 m -127.37 138.64 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.7 m-85 -115.62 120.0 37.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' NE2' ' A' ' 83' ' ' HIS . 63.6 mttt -106.77 112.36 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 6.7 tm-20 -117.83 129.54 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -130.28 101.24 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 4.4 t-80 -84.1 134.92 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -102.54 153.18 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 t -99.56 -7.47 25.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.59 -60.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -71.94 -12.5 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.44 48.15 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.58 133.8 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 30.8 m-85 -97.86 101.03 12.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 m -84.98 113.83 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.32 138.58 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -133.96 141.94 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.81 120.62 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' NE2' ' HD2' ' A' ' 68' ' ' LYS . 9.5 m-70 -112.97 129.26 56.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 mt -124.89 105.27 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.17 146.56 21.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 60.75 40.92 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 28' ' ' LYS . 1.7 m -51.49 148.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 m -137.29 167.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 89' ' ' LEU . 1.4 mm? -59.9 -30.97 69.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.34 -17.48 74.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.26 -39.76 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 2.8 ptt85 -51.67 142.94 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.44 -111.74 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 95' ' ' TYR . 10.3 t80 -146.57 155.01 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 112' ' ' ILE . 88.4 m-85 -142.58 152.25 42.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -123.53 138.35 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.74 112.68 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -91.85 137.62 32.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.41 109.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.15 151.58 38.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -130.82 -174.63 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' ALA . 27.0 tttt -32.91 -59.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.77 -31.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.4 m -73.3 146.44 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.1 p -140.58 129.95 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.4 148.62 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.2 p -150.34 139.12 20.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.1 t -119.59 160.95 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -135.45 143.65 15.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.468 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 1.5 p90 -131.51 176.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.2 m-20 -136.17 139.17 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 95' ' ' TYR . 34.4 mt -120.83 143.08 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 112' ' ' ILE . 8.6 m-20 -124.54 131.5 53.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 85.0 t -112.69 94.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.1 131.61 46.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.82 -21.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.0 86.42 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -46.44 -41.14 13.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -142.47 137.02 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -104.31 148.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.433 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.1 Cg_endo -69.79 101.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.21 137.65 45.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 p -47.5 134.08 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.0 m -129.72 120.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -96.8 117.47 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -115.94 168.36 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -94.19 149.58 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -58.79 126.04 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.54 -7.31 61.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -92.05 -175.78 4.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.92 122.17 46.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.8 21.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.0 t -149.17 125.09 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 87.4 t -114.83 155.85 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 69.7 t -132.54 135.05 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.72 126.59 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -99.48 151.09 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.35 110.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.77 110.25 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.22 -44.11 53.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -40.16 -52.69 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -57.34 -37.32 72.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' GLY . 38.0 mt -74.74 144.16 79.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.434 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.6 Cg_endo -69.73 -32.17 19.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -154.4 -178.73 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -52.22 121.87 22.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -174.79 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 m -119.8 116.52 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -93.96 117.33 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -146.83 130.89 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -112.47 114.13 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -107.18 150.81 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 52' ' ' GLY . 26.1 tttm -106.09 88.22 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.55 37.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -174.28 -175.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -74.71 -4.98 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -87.49 106.26 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m -120.95 141.3 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -113.93 138.91 49.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -121.33 109.34 14.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' CD ' ' N ' ' A' ' 70' ' ' SER . 3.3 tp10 -125.78 130.82 52.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.512 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 3.1 m -132.44 109.38 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.521 ' CD2' ' CZ ' ' A' ' 78' ' ' TYR . 7.7 t-80 -86.53 122.95 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 73' ' ' SER . 25.1 t-20 -98.3 152.94 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 15.6 t -88.38 -71.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.49 23.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -67.81 -47.26 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 73.25 40.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -126.45 137.81 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.521 ' CZ ' ' CD2' ' A' ' 71' ' ' HIS . 24.8 m-85 -99.73 107.32 19.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 m -89.76 96.36 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.0 m -99.19 131.58 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -133.31 144.44 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.3 tp -110.94 125.86 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -116.96 136.33 53.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -133.84 123.32 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.2 18.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 55.91 48.37 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 m -59.18 147.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.98 164.21 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.77 -38.07 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.42 57.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -93.54 -29.47 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 -62.85 147.25 50.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 -114.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.4 OUTLIER -144.52 149.67 36.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.947 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CE1' HD13 ' A' ' 112' ' ' ILE . 52.6 m-85 -132.0 173.15 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -147.92 145.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.69 117.25 26.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -94.13 127.93 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -139.0 110.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.04 132.7 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.88 -73.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 76.1 mttt -126.68 -75.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -107.8 -17.89 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.9 m -90.09 127.68 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.0 t -133.93 112.47 11.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.51 114.2 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.8 p -120.32 139.05 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.09 162.53 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -137.25 125.29 3.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.442 ' C ' ' OD1' ' A' ' 111' ' ' ASN . 30.4 p90 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 m120 -137.71 140.49 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 95' ' ' TYR . 35.3 mt -117.26 146.06 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.82 126.14 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -107.16 99.06 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.91 125.56 29.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -72.48 -23.98 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -90.43 89.09 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.76 -34.65 12.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -141.15 131.61 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 145.36 30.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.679 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.01 148.64 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 p -53.29 135.98 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.56 117.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -95.14 112.93 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.27 168.4 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -101.77 139.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -46.35 138.51 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.48 -6.6 79.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -95.1 -176.76 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.67 121.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 146.0 25.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG23 ' CE1' ' A' ' 83' ' ' HIS . 44.7 t -138.97 128.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.89 135.02 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.28 135.23 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -155.59 149.28 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -125.81 157.94 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.09 124.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -75.0 102.37 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.51 74.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -45.46 -42.2 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.74 -30.06 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -85.96 142.59 36.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.446 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.82 -44.53 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.85 -176.28 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.48 123.14 60.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.32 60.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -96.14 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -91.8 121.69 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -154.26 130.27 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 82' ' ' LEU . 79.3 m95 -105.25 120.03 40.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.95 157.92 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 28.9 tttt -117.03 107.82 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.18 -93.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LYS . 6.5 ttmt -52.93 -176.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.756 0.312 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -80.92 43.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.365 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.446 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 59.5 m-85 -73.68 103.95 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 m -118.26 138.7 52.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-30 -113.05 132.32 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -118.43 108.9 15.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -117.53 123.5 46.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 2.7 m -130.03 114.5 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -94.28 135.69 35.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -97.68 148.67 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.5 p -89.1 -22.69 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 -71.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 m -63.92 -20.1 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 55.92 44.48 25.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 78' ' ' TYR . 6.5 p -121.81 136.39 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.406 ' N ' HG23 ' A' ' 77' ' ' VAL . 40.9 m-85 -93.49 109.19 20.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.1 m -86.93 99.16 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -140.99 131.09 24.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.9 tp -102.46 120.86 41.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 31' ' ' VAL . 12.1 m170 -109.31 135.84 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.65 115.07 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.77 146.26 18.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 64.25 42.38 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 m -53.07 139.63 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.18 161.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.41 -32.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.63 -29.89 72.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -27.51 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -69.21 134.37 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.45 -108.45 0.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.3 t80 -144.57 150.69 37.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 76.9 m-85 -138.74 172.4 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -156.51 146.04 20.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 tp -120.14 117.99 29.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.67 136.12 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -146.96 114.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -144.29 131.32 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.58 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 18.1 mmtp -131.85 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -125.97 19.77 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.8 m -125.2 82.67 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.14 126.84 33.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.37 123.4 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.1 p -131.49 153.83 49.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.77 157.08 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -130.44 129.66 5.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 2.4 p90 -127.4 -178.62 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.99 132.03 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.37 147.2 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.74 126.14 46.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.31 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.15 141.62 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.139 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.03 -21.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.11 97.53 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.32 -32.61 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -150.22 131.06 14.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -97.81 151.41 37.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.518 0.675 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 110.96 2.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.7 137.39 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.2 p -46.52 123.42 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.9 134.45 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.3 p -98.98 124.4 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -129.94 164.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -107.56 144.61 34.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.75 134.41 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.16 -6.33 83.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 45.4 mmtm -96.0 -178.3 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.58 125.38 53.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.74 154.83 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' CE1' ' A' ' 83' ' ' HIS . 84.8 t -148.74 127.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.6 143.33 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.24 130.6 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.39 130.11 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -105.29 154.26 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -139.4 121.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.22 110.41 8.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -33.04 54.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.3 -42.87 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.49 -26.6 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.21 146.94 32.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.43 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -127.67 175.61 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -56.21 119.55 28.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.54 30.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.2 m -111.88 112.79 24.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp -86.7 125.45 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -141.4 130.25 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 88.2 m95 -104.21 131.19 51.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -132.47 138.09 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' LYS . 19.3 ttmt -107.34 101.83 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.43 -91.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LYS . 8.2 ttpt -56.28 178.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -75.9 48.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 69.0 m-85 -75.19 99.92 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -105.89 139.68 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 4.7 m-85 -135.14 123.09 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -110.75 117.28 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.503 ' OE2' ' CG1' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -97.52 135.61 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -134.35 106.59 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -100.48 116.29 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 11.5 m120 -85.08 156.98 20.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.0 p -93.0 -52.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.31 -52.54 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.3 m -70.63 -29.15 65.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.36 44.68 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -122.47 143.14 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -100.58 107.83 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -95.8 102.57 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' CG1' ' OE2' ' A' ' 69' ' ' GLU . 12.6 m -102.73 132.36 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -121.18 129.08 53.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.544 HD12 ' CE2' ' A' ' 67' ' ' PHE . 8.1 tp -101.75 109.03 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.514 ' CE1' HG13 ' A' ' 31' ' ' VAL . 9.6 m170 -107.27 122.29 46.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 85' ' ' GLY . 56.8 mt -115.08 138.59 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 84' ' ' ILE . . . -109.53 148.5 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.1 mttt 60.91 49.91 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 m -60.12 135.79 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.38 164.9 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.94 -22.11 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.42 -12.57 84.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -89.77 -44.23 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.79 0.329 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -46.79 147.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.32 -114.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.97 148.92 41.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.545 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 57.8 m-85 -131.39 167.41 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -145.78 136.41 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.9 tp -113.5 117.33 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.19 134.25 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.5 t -140.63 109.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -134.64 145.27 48.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 -75.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.69 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.78 -16.89 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.2 m -90.45 133.02 35.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.84 118.54 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.02 148.0 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -147.55 143.97 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.8 t -110.17 162.34 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -138.25 125.96 3.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -119.51 -175.15 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -141.08 132.22 26.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 95' ' ' TYR . 14.4 mt -112.04 146.49 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.64 130.75 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.02 100.97 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.81 145.26 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.717 . . . . 0.0 111.1 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 106' ' ' ASP . 10.3 p -68.49 -30.73 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CD2' ' SG ' ' A' ' 108' ' ' CYS . 5.5 m-85 -81.26 97.52 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.98 -32.12 73.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 2.2 tmtp? -137.29 129.12 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 13.0 mttm -102.97 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 101.52 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.45 141.67 48.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -57.17 124.95 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 14.0 m -111.85 117.41 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -83.41 129.45 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.96 168.14 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.53 152.38 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 m -53.99 130.9 39.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 -8.43 77.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -88.62 -175.06 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -114.62 124.71 52.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 149.12 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG23 ' CE1' ' A' ' 83' ' ' HIS . 21.7 t -138.75 129.87 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.72 116.21 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.76 148.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.91 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' CB ' ' A' ' 17' ' ' LYS . 58.3 mttt -138.33 154.05 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.19 124.42 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.09 111.72 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.22 -42.72 41.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.87 -53.56 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.295 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.32 -30.26 59.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.5 142.34 31.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -38.17 7.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -139.82 -175.38 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -60.06 119.87 45.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 161.55 45.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.286 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -105.93 112.72 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.437 HG12 ' CG1' ' A' ' 80' ' ' VAL . 3.1 mp -87.62 132.09 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 9.3 mtpt -147.08 139.48 24.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.494 ' CE3' HD23 ' A' ' 82' ' ' LEU . 85.8 m95 -115.51 121.41 42.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.4 154.31 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' LYS . 23.8 ttmt -120.02 93.97 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.34 -88.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.8 ttmm -55.42 -174.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.86 4.02 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 7.8 ptp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 67.5 m-85 -77.12 117.77 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.7 m -123.71 126.48 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 8.0 m-85 -113.87 121.52 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -117.7 108.07 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -106.3 124.72 50.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 69' ' ' GLU . 37.8 m -109.59 108.38 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.423 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -88.83 112.57 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -97.45 155.56 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.5 t -102.95 -58.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -68.01 -20.73 65.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 53.97 49.98 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.87 134.13 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -93.2 121.89 35.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 m -107.77 108.43 19.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.437 ' CG1' HG12 ' A' ' 47' ' ' ILE . 32.9 m -104.49 139.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -129.48 136.17 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.494 HD23 ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -118.17 108.57 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' CE1' HG23 ' A' ' 31' ' ' VAL . 8.9 m170 -106.78 137.7 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -130.09 111.41 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -88.98 148.32 20.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 32.1 mtmt 60.77 54.17 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -63.32 157.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.23 167.37 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -55.77 -32.44 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.54 -9.54 74.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.02 -38.94 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -56.38 144.21 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -111.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 1.3 t80 -154.75 146.75 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 94' ' ' TYR . 64.9 m-85 -125.64 179.97 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -149.92 132.65 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 48' ' ' LYS . 68.0 tp -113.07 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -92.42 139.79 30.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.409 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 53.6 t -139.04 120.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -147.31 151.5 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.09 -73.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -127.28 -75.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -111.19 -7.42 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.6 m -100.22 128.82 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.62 108.25 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.413 ' CG ' HG13 ' A' ' 14' ' ' VAL . 1.3 m-20 -127.07 153.41 46.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 p -148.75 157.2 43.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 72.0 m -153.33 121.78 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.81 157.88 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.477 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 1.4 p90 -129.93 -175.0 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -139.16 135.8 34.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.38 150.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -126.17 141.16 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.9 t -125.12 91.64 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -79.43 118.77 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 111.064 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -74.52 -43.07 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 99' ' ' VAL . 5.2 m-85 -71.64 100.54 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -137.77 131.19 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -102.83 145.55 30.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.92 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.09 129.0 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 m -37.51 133.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.32 121.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -87.06 113.69 23.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -117.24 167.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.99 139.45 47.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -47.14 136.03 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.92 84.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -98.11 -175.86 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.55 120.89 41.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.4 148.17 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.61 124.65 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.83 143.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.25 136.76 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -163.37 145.41 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -120.6 161.44 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -141.75 122.01 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -73.65 111.43 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' LYS . . . -74.77 -53.5 6.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 24.8 mtpt -35.05 -69.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -39.97 -44.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 mt -67.03 143.54 97.97 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.5 Cg_endo -69.68 -49.05 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 5.5 t70 -125.52 -175.66 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -63.1 119.65 54.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.18 64.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -107.59 112.86 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.73 130.3 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -143.99 123.65 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.592 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 87.8 m95 -89.87 113.59 25.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.29 153.17 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 53' ' ' LYS . 15.8 ttmm -109.64 91.26 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.31 -90.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' LYS . 28.3 mtmt -52.5 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -80.23 43.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -78.16 109.89 12.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -119.01 135.43 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.592 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 7.6 m-85 -120.21 130.32 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -118.77 107.82 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.85 118.36 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -110.05 102.68 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -93.2 120.87 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 27.7 m-80 -96.87 154.6 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.0 p -100.05 -12.7 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.78 -64.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' ASN . 2.1 m -70.96 -1.98 13.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.429 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m120 35.93 51.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.18 135.21 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -102.22 102.48 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.2 m -88.49 113.89 24.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.36 144.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.98 123.92 16.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.81 120.72 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -114.39 116.43 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mt -116.99 124.48 73.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.18 151.7 17.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp 56.51 43.18 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.72 140.49 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.56 160.27 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -49.68 -34.02 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -26.97 71.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -70.42 -36.19 73.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -59.89 139.46 57.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.86 -95.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.8 t80 -165.35 144.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.572 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 90.1 m-85 -125.53 178.97 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.953 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -151.68 143.21 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.5 tp -121.13 119.5 32.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -97.95 139.22 34.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 15' ' ' PHE . 47.4 t -139.49 117.05 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -147.53 132.57 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' ASP . . . -113.19 -75.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 13.6 tptp -115.17 -69.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -16.43 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.5 m -80.41 135.38 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.1 p -135.14 104.92 6.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.45 148.47 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 p -148.88 152.67 36.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.6 p -120.48 157.91 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.15 121.24 2.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -124.42 175.92 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.414 HD21 ' N ' ' A' ' 112' ' ' ILE . 0.3 OUTLIER -133.92 140.9 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.414 ' N ' HD21 ' A' ' 111' ' ' ASN . 19.0 mt -121.04 146.41 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.94 135.2 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.422 ' CG2' ' OD2' ' A' ' 91' ' ' ASP . 72.4 t -118.86 102.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.3 135.46 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.129 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -88.34 -24.62 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -101.52 92.63 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.23 -36.06 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -147.79 133.59 19.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -104.19 150.92 38.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 121.21 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.11 131.65 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.7 p -42.59 123.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -111.8 135.56 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -101.17 115.52 30.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.92 165.4 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.86 148.76 23.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -58.14 127.56 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 12.33 57.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -113.23 -176.6 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -108.02 120.67 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.31 148.85 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 83' ' ' HIS . 96.8 t -139.63 141.22 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 89.5 t -136.24 133.76 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.6 132.39 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.91 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -108.97 155.82 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -139.94 120.87 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -72.57 111.71 7.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.86 -50.85 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -38.04 -58.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -48.33 -41.7 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.12 140.51 76.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -42.12 3.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.301 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -139.28 177.78 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -49.28 120.52 10.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -106.93 112.95 26.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 80' ' ' VAL . 25.9 mm -90.68 111.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 6.6 mtpp -148.04 137.62 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.408 ' CZ2' ' HB2' ' A' ' 82' ' ' LEU . 76.7 m95 -109.33 156.29 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 79.7 m-85 -152.63 160.41 43.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -120.95 108.47 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 37.15 -91.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.95 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -82.78 24.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.06 99.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.2 m -107.54 145.65 32.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -131.88 120.52 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -120.63 112.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.37 120.72 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -126.0 124.22 40.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -102.76 136.71 42.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 72' ' ' ASN . 1.5 m-80 -92.65 152.13 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -86.97 -34.12 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -59.29 -38.11 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 68.56 45.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.26 136.28 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.28 103.11 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 m -83.08 105.3 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 47' ' ' ILE . 26.2 m -105.47 142.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -134.71 145.54 48.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 34.5 tp -120.95 105.93 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' HG21 ' A' ' 31' ' ' VAL . 14.0 m-70 -104.19 129.18 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.5 mt -125.29 111.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.02 156.15 26.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt 56.34 49.96 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.83 137.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.7 167.71 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.76 -27.73 43.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.18 -23.54 77.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' ARG . 38.6 m-20 -78.21 -55.85 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 5.4 ptt85 -35.75 145.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.26 -111.5 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -148.09 153.33 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 29.7 m-85 -140.1 178.09 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.16 140.07 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.89 120.75 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -91.7 130.51 37.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -141.98 109.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -143.91 118.16 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.62 -71.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -126.7 -66.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.99 -28.61 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.6 m -73.76 121.72 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.6 112.51 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.35 131.46 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.0 p -139.54 143.06 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.3 t -107.72 160.37 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.54 119.15 2.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 13.0 p90 -117.75 -179.75 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 110' ' ' PHE . 2.3 m-80 -143.78 133.49 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 113' ' ' ASP . 62.3 mt -111.85 154.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 112' ' ' ILE . 2.8 t70 -129.11 137.92 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.5 92.5 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.65 125.0 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 111.07 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.07 -41.46 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.59 88.89 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.54 -31.12 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -150.66 128.75 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.1 mppt? -100.32 148.89 35.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.82 4.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.61 146.57 27.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 p -53.07 124.43 14.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.63 129.74 73.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -97.9 133.64 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.15 165.73 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -110.81 143.28 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.27 133.01 16.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 2.5 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.5 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.49 123.73 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.96 147.38 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG21 ' CE1' ' A' ' 83' ' ' HIS . 53.9 t -139.99 134.79 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.75 145.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.41 136.98 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.08 131.37 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -112.45 152.86 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -133.29 126.07 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.46 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.11 -42.92 34.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -49.71 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.714 0.293 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -48.12 -30.45 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.5 mt -82.89 145.47 50.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.0 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -143.11 -178.63 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -56.39 121.2 41.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -176.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -124.85 113.34 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.404 HG12 ' CG1' ' A' ' 80' ' ' VAL . 3.8 mp -92.11 116.9 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -143.99 124.45 13.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 64.1 m95 -100.68 127.46 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -117.17 140.85 49.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' LYS . 69.8 tttt -104.79 109.61 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.07 -91.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' LYS . 7.9 ttmt -51.76 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.83 22.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -80.03 96.47 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 m -107.63 123.07 47.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 37.5 m-85 -108.32 125.91 52.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -114.04 110.08 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -114.8 118.72 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -121.64 109.18 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 3.5 p80 -89.04 127.82 35.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -85.9 155.16 21.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.4 p -95.55 -45.36 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.58 -67.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -66.05 -29.25 69.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.8 t30 65.62 37.7 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.62 141.84 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.23 124.13 42.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 m -107.15 107.3 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 30.1 m -108.79 137.65 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.1 mp0 -137.03 130.02 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD12 ' CE2' ' A' ' 67' ' ' PHE . 17.4 tp -99.42 119.99 38.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' A' ' 31' ' ' VAL . 11.0 m170 -117.83 133.25 56.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.3 mt -130.69 126.16 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.45 155.92 21.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp 51.36 43.86 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -44.83 142.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.18 158.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.0 mm? -50.03 -33.48 18.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.79 -24.78 75.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -27.74 62.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -66.37 139.53 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.71 -112.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -151.91 155.06 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.934 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.515 ' O ' ' CZ ' ' A' ' 94' ' ' TYR . 47.6 m-85 -133.08 171.93 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -140.09 132.01 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.0 tp -109.19 114.48 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -93.27 136.37 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.3 t -143.31 116.4 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -143.31 130.31 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.47 -75.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -127.88 -74.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.3 -19.96 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 105' ' ' CYS . 87.1 m -85.5 136.47 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 104' ' ' THR . 21.6 p -135.44 117.81 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -141.45 143.28 33.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.1 p -149.66 141.76 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.8 m -133.07 140.78 47.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -116.45 153.01 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.1 p90 -125.61 179.27 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -131.16 128.26 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' ASP . 44.3 mt -116.88 148.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.463 ' N ' HG21 ' A' ' 112' ' ' ILE . 4.9 t70 -128.37 140.26 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.7 t -123.31 96.05 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.25 131.62 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.09 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -54.56 -40.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -71.12 87.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.38 -43.52 64.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -133.01 131.22 40.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -101.74 143.36 26.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -94.39 137.61 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 t -43.2 145.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -139.66 121.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 117.08 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.73 168.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -96.7 135.43 38.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 m -46.19 133.13 9.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.7 -14.11 65.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -89.57 -175.41 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -112.48 120.71 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.69 153.91 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 83' ' ' HIS . 91.1 t -144.11 135.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.7 t -128.5 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -110.05 135.52 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.02 124.79 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -107.71 154.32 21.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 41' ' ' LEU . 84.4 t -133.22 127.3 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 16.9 t-20 -71.57 117.48 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.28 -48.97 7.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -49.31 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -42.14 -46.83 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' CG1' ' A' ' 36' ' ' VAL . 13.8 mt -65.14 147.18 98.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.469 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.72 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -139.59 -177.82 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -50.8 114.8 5.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.6 m -128.83 112.75 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.22 134.68 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -149.51 122.99 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CE3' HD23 ' A' ' 82' ' ' LEU . 66.5 m95 -99.9 129.75 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.16 157.31 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' GLY . 50.0 tttt -118.65 112.69 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.65 -100.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.34 48.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -54.46 105.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.8 m -105.55 161.2 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 25.8 m-85 -141.07 120.81 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -112.22 110.84 21.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -119.78 126.58 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.0 p -122.82 118.27 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.16 122.68 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.8 146.45 23.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 m -87.3 -45.45 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.53 -48.08 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -71.55 -42.67 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.3 t30 69.92 42.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.57 139.55 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.59 100.42 11.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.9 m -87.14 108.18 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.65 140.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -136.98 122.61 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 HD23 ' CE3' ' A' ' 49' ' ' TRP . 34.0 tp -93.12 119.84 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.553 ' CE1' HG12 ' A' ' 31' ' ' VAL . 12.2 m170 -115.59 128.92 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 mt -117.33 107.97 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.83 143.4 21.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 61.9 50.79 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 m -57.17 150.79 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.16 162.93 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.98 -35.39 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.59 -23.62 67.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 71.8 m-20 -77.02 -56.22 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 3.5 ptt85 -36.54 137.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.76 -106.68 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -153.53 158.96 42.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.382 . . . . 0.0 110.926 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CE1' HD11 ' A' ' 112' ' ' ILE . 84.6 m-85 -141.55 177.2 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -142.61 143.77 32.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.3 tp -122.12 108.55 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.86 134.99 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.6 t -139.44 127.62 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -150.98 127.58 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.46 -74.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -125.86 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -117.46 -30.12 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 105' ' ' CYS . 95.0 m -71.63 140.37 49.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.472 ' N ' HG21 ' A' ' 104' ' ' THR . 25.9 p -137.88 113.22 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -138.22 141.86 39.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -143.69 143.84 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 1.9 t -118.53 159.79 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.03 128.21 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 10.4 p90 -120.07 175.95 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -137.74 125.48 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 95' ' ' TYR . 67.6 mt -110.77 148.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -122.71 147.96 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 47.7 t -129.47 94.79 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.37 123.68 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -88.07 -50.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -65.12 88.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.13 -37.34 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 8.8 tmtm? -129.56 128.62 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 30.3 mttt -99.71 141.05 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.24 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.94 140.29 47.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.7 p -53.77 133.49 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 m -119.75 127.26 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 p -93.17 125.72 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.86 168.23 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -111.09 143.27 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -43.65 141.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.38 -8.88 62.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -91.47 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 121.35 36.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 155.59 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -147.86 124.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -117.98 132.31 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.4 136.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.42 157.77 43.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.416 ' N ' ' HB3' ' A' ' 17' ' ' LYS . 33.3 mmtt -125.37 154.99 41.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 35' ' ' LYS . 67.2 t -139.92 119.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.53 116.01 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.18 -36.67 30.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -52.21 -66.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -41.15 -41.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 104' ' ' THR . 9.7 mt -75.59 145.16 78.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.83 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.46 179.92 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -54.87 121.48 35.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 178.26 4.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' LYS . 99.1 m -111.72 112.81 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.0 mm -88.93 120.21 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' NZ ' HG23 ' A' ' 46' ' ' THR . 18.3 mtmm -149.3 129.82 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.643 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 86.0 m95 -104.7 117.31 33.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.8 143.24 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.1 tttm -97.02 107.4 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.06 -93.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.5 ttmm -51.68 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -76.24 47.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -72.56 111.22 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -118.09 157.8 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.643 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 5.1 m-85 -146.62 136.97 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.77 109.89 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -104.55 138.78 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -130.9 118.52 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.5 122.17 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.26 140.36 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.3 p -79.71 -41.41 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.68 -58.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.7 m -59.65 -39.55 84.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.97 33.88 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.67 148.12 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.31 112.15 25.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 m -88.35 102.76 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.67 128.76 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.53 167.86 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 HD22 ' CE3' ' A' ' 49' ' ' TRP . 36.2 tp -135.11 110.67 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -104.45 125.23 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -122.87 105.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.09 150.6 22.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 mttt 55.37 52.5 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 m -62.29 148.76 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.5 m -132.67 169.98 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.77 -34.51 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.2 -22.71 72.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.92 58.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -59.6 136.27 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' ASN . . . 153.17 -119.25 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.34 151.38 37.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 68.5 m-85 -130.79 165.79 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -132.26 131.43 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.0 tp -109.18 113.31 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -91.73 137.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.5 t -146.93 111.66 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.0 OUTLIER -142.76 156.24 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 100' ' ' LYS . . . -130.84 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -124.4 -74.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.41 -15.08 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 41' ' ' LEU . 99.3 m -94.87 123.65 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 t -131.31 109.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.59 145.51 51.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.2 p -142.76 145.38 33.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 4.1 t -128.72 135.9 49.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.27 141.81 17.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.0 p90 -121.81 -178.03 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t-20 -137.06 139.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.517 HD12 ' CE1' ' A' ' 95' ' ' TYR . 66.8 mt -128.2 147.83 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -125.14 139.69 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.9 t -122.47 95.53 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.81 130.62 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 111.068 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.85 -46.05 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.4 m-85 -69.23 91.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.0 -33.47 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.01 128.65 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -96.73 146.34 31.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.04 138.36 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -48.62 146.79 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.71 119.36 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -87.29 122.74 31.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.56 167.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -104.64 136.91 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -44.73 132.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 -13.08 68.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -89.69 -175.74 4.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.48 122.94 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.05 156.47 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 32' ' ' VAL . 89.8 t -147.17 138.42 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.436 ' N ' HG11 ' A' ' 31' ' ' VAL . 93.3 t -133.08 137.49 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.59 138.62 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.41 135.85 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -117.07 154.25 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.28 119.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 40' ' ' GLU . 9.5 t-20 -71.73 109.2 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.54 -32.44 64.6 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.11 -53.89 52.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HG3' ' CG ' ' A' ' 37' ' ' ASN . 10.9 mt-10 -51.31 -39.14 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD23 ' CG2' ' A' ' 104' ' ' THR . 6.6 mt -79.7 141.71 56.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.52 2.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.29 176.42 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.02 121.71 57.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -172.17 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -132.14 119.26 20.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.482 ' N ' HD13 ' A' ' 47' ' ' ILE . 4.7 mp -101.67 107.06 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -135.87 124.26 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -92.23 135.62 33.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -126.98 149.58 49.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 32.0 ttmt -117.4 99.86 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.32 -89.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -51.64 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -82.21 39.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.13 108.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -116.36 159.37 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -148.58 121.61 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.66 133.17 56.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.502 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 1.3 tm-20 -140.15 121.54 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.8 p -120.16 126.88 51.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.7 p80 -106.98 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -86.42 154.64 21.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 m -91.85 -54.69 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -50.84 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -56.79 -43.59 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 70.47 35.43 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 p -125.27 144.61 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -104.11 125.57 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.3 m -109.87 109.38 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.52 144.91 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -146.0 137.22 24.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.19 123.76 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 31' ' ' VAL . 12.5 m-70 -117.69 121.23 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.5 mt -120.99 106.32 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.76 147.14 20.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt 66.21 39.12 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.0 m -49.8 160.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.23 166.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.09 -39.21 63.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.12 -21.42 61.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.41 -50.61 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -39.21 139.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.48 -117.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -153.03 144.74 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 54.0 m-85 -120.21 173.8 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -147.94 129.27 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.6 tp -101.25 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -91.8 126.36 36.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.69 111.65 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -124.4 152.91 42.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -145.65 178.02 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' ALA . 26.9 mmtt -37.63 -68.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.6 26.28 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.445 ' CG2' HD23 ' A' ' 41' ' ' LEU . 85.1 m -135.78 110.31 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.19 120.2 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -149.98 149.74 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -148.63 142.02 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 74.2 m -138.26 136.64 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.21 162.09 12.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.8 OUTLIER -128.51 -175.0 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -138.29 137.78 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.489 HD12 ' CE1' ' A' ' 95' ' ' TYR . 53.5 mt -131.08 151.54 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -130.7 138.71 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.19 98.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.58 126.57 35.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.52 -45.15 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -71.81 98.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.72 -43.38 97.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -133.31 130.14 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -98.56 142.7 25.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 148.44 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.9 p -54.93 142.17 30.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.86 117.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -88.11 122.18 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.72 167.22 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.7 139.03 35.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' CG1' ' A' ' 114' ' ' VAL . 21.5 m -50.09 129.83 21.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.5 -13.3 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -89.08 -175.01 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.37 120.55 42.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.65 154.52 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.46 139.44 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -138.1 132.33 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 34' ' ' ALA . 86.2 t -108.65 141.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -158.15 128.59 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -104.32 154.74 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -137.51 121.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -72.77 113.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.95 -48.2 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.68 -61.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -46.64 -43.55 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.75 141.33 87.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.73 7.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -143.84 -177.28 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -57.23 118.81 26.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.87 32.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.426 ' CG2' ' HE3' ' A' ' 48' ' ' LYS . 86.3 m -101.28 113.23 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 mm -90.72 110.9 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HE3' ' CG2' ' A' ' 46' ' ' THR . 70.0 mttt -141.09 125.42 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -95.25 146.06 24.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -142.82 158.38 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LYS . 21.2 ttmt -122.95 100.96 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.36 -93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.1 ttmt -50.18 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -81.67 39.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 6.7 ptm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 41.5 m-85 -74.41 104.81 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -112.07 123.0 49.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -110.6 118.2 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -111.5 133.71 53.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -133.97 123.97 25.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -132.17 116.26 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -101.86 135.85 42.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.4 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -74.29 -54.9 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.97 -53.21 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -45.01 95.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 72.49 42.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.26 141.4 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -102.18 111.84 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.1 m -93.81 96.5 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.2 m -100.82 134.21 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -132.94 132.75 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -105.15 119.83 40.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.93 121.64 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -112.7 107.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.21 142.38 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 64' ' ' ARG . 82.3 mttt 62.83 49.53 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 m -57.4 156.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.1 m -146.31 161.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 HD13 ' CD ' ' A' ' 92' ' ' ARG . 3.9 mm? -48.31 -36.68 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.07 -29.71 59.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 92' ' ' ARG . 2.1 m-20 -76.64 -53.23 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.444 ' CD ' HD13 ' A' ' 89' ' ' LEU . 3.8 ptt-85 -35.32 136.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 25.8 m-85 -114.21 177.41 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -150.9 136.11 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.2 tp -111.68 119.1 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -95.43 137.93 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.5 t -143.41 132.13 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -162.27 126.04 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.76 -74.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -122.83 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.87 -32.69 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.4 m -67.63 141.35 56.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 p -138.49 118.41 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -141.96 132.9 25.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.5 p -139.05 138.65 37.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.64 162.39 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -139.3 125.78 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 3.8 p90 -115.91 179.84 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -139.19 140.24 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 113' ' ' ASP . 57.7 mt -129.7 143.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.456 ' N ' HG22 ' A' ' 112' ' ' ILE . 7.2 m-20 -123.23 126.05 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.409 ' CG1' ' OG1' ' A' ' 26' ' ' THR . 82.5 t -101.9 93.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.6 119.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 111.08 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -76.96 -25.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CD2' ' SG ' ' A' ' 108' ' ' CYS . 4.5 m-85 -80.37 92.09 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.87 -34.36 62.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 1.2 tmtp? -145.42 128.82 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -102.97 145.63 30.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -92.21 133.68 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 t -38.09 146.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.27 119.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 p -88.15 113.6 23.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.1 165.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.4 144.35 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 m -52.58 131.2 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.45 13.15 63.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -112.8 -175.85 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -116.1 120.83 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 151.44 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 83' ' ' HIS . 75.9 t -141.03 127.66 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 92.2 t -119.31 148.81 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 34' ' ' ALA . 69.9 t -126.86 142.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -164.19 142.07 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -113.55 156.88 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.75 118.62 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -72.19 101.27 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.89 58.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -39.88 -58.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.96 -41.73 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.03 140.61 91.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.432 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -26.7 27.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -155.68 179.39 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -53.76 117.88 13.6 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.82 13.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -116.91 113.28 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 47' ' ' ILE . 4.7 mp -93.98 126.54 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -145.76 123.18 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CE3' HD23 ' A' ' 82' ' ' LEU . 89.6 m95 -93.17 123.75 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.54 151.4 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 49.9 tttt -117.88 104.14 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.9 -92.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 15.8 ttpp -47.83 175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.3 p-90 -76.03 48.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 48.4 m-85 -59.59 107.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -126.19 157.9 36.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -138.57 140.16 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -130.9 113.79 14.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 132.59 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -125.96 101.88 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.2 p80 -90.28 121.58 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.41 152.36 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 t -88.61 -42.92 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -55.88 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -67.81 -34.74 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.71 46.97 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.22 138.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.87 102.17 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.4 m -86.32 106.97 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.2 m -103.13 139.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.11 126.28 29.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 49' ' ' TRP . 22.8 tp -96.73 112.34 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 31' ' ' VAL . 12.3 m-70 -106.27 124.5 49.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.1 120.73 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.99 153.13 19.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mttp 57.94 49.89 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -65.33 136.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -128.44 168.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.97 -29.48 43.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.2 -19.35 73.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' ARG . 5.0 m-20 -83.32 -54.51 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.0 ptt85 -36.33 141.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.83 -109.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -155.19 146.31 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.891 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 72.3 m-85 -126.25 177.21 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -152.77 141.99 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.2 tp -115.68 121.8 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -102.48 133.09 48.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -139.18 135.9 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -164.81 125.71 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.15 -70.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 30.4 mmtt -131.58 -64.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.56 -32.0 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 105' ' ' CYS . 99.0 m -71.38 140.39 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.433 ' N ' HG22 ' A' ' 104' ' ' THR . 24.7 p -137.13 113.3 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -135.52 144.75 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -148.34 143.55 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 68.3 m -134.3 138.0 44.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.61 151.93 17.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -127.37 -175.37 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.94 130.52 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.442 HD12 ' CE1' ' A' ' 95' ' ' TYR . 77.0 mt -121.74 140.72 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.73 128.37 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.5 t -104.98 90.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.15 130.19 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -55.51 -50.72 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CD2' ' SG ' ' A' ' 108' ' ' CYS . 4.1 m-85 -66.18 95.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.28 -42.25 81.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -134.86 128.72 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -100.0 143.26 26.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 133.21 24.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.15 150.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -53.54 145.86 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.45 117.2 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 113' ' ' ASP . 52.1 m -96.17 107.98 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.3 168.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.12 137.01 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -44.95 134.06 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.32 -13.65 67.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.26 179.8 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.81 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 149.44 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.1 137.48 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.8 125.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.6 138.3 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.69 126.64 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -105.36 153.25 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.62 119.26 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 42.4 t-20 -71.48 105.57 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.31 47.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -47.32 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 49.9 mm-40 -45.76 -44.38 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.08 146.1 97.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -44.67 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -140.08 176.28 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -49.6 116.23 5.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 161.98 43.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 m -108.52 112.58 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.51 130.14 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 26.9 mttm -152.58 125.65 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -96.98 131.78 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 48' ' ' LYS . 6.7 m-85 -130.71 150.25 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' LYS . 16.7 ttmt -103.27 89.04 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.83 -86.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.8 mtmt -51.11 -176.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.02 38.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 38.0 m-85 -69.73 104.93 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -114.59 161.62 17.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -138.05 121.58 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -114.61 111.48 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -113.98 127.52 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -117.31 111.92 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -97.77 118.15 33.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' CB ' ' HB2' ' A' ' 75' ' ' SER . 82.3 m-20 -90.63 149.64 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 p -83.72 -62.05 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.03 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.442 ' HB2' ' CB ' ' A' ' 72' ' ' ASN . 58.8 m -71.19 -43.61 67.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t30 67.69 41.9 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.16 142.87 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -104.11 102.13 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 m -87.64 102.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 m -101.15 134.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -130.99 119.31 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 tp -88.66 123.41 33.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -119.49 116.61 26.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -113.25 103.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.25 149.32 27.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt 61.94 48.17 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.13 146.9 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.01 162.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 92' ' ' ARG . 3.3 mm? -51.51 -39.19 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.3 -25.01 62.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.98 -50.48 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.416 ' CD ' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -42.34 138.83 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.3 -105.5 0.27 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 3.0 t80 -151.05 155.56 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.563 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 90.0 m-85 -139.87 175.38 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -157.76 143.54 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.0 tp -117.76 115.57 25.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -91.54 133.2 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -141.46 122.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.89 135.65 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.03 -72.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 16.5 mmtp -124.41 -64.15 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -133.82 24.38 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.3 m -125.35 110.89 14.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.0 p -107.48 114.13 27.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.56 118.46 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -127.23 150.48 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . 0.527 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 90.2 m -136.02 131.29 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.89 147.8 17.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -129.21 -175.49 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -137.76 122.5 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 95' ' ' TYR . 71.8 mt -113.2 146.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 23' ' ' SER . 2.1 t70 -123.36 141.94 51.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -122.78 90.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.79 115.95 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 111.084 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.38 -32.27 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -91.43 89.55 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.47 -33.41 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -146.46 129.23 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -103.2 151.21 38.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 102.46 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.05 137.56 40.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 p -44.6 130.67 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.24 123.72 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 p -95.16 108.09 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -112.67 167.56 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -106.88 147.1 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -55.03 129.99 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -1.91 68.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -101.13 -175.32 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.65 122.55 47.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.86 154.77 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -149.1 132.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.37 143.31 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.66 134.31 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.09 9.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -108.38 152.55 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -133.2 122.45 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.45 101.65 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -61.26 -50.7 64.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 48.6 mttt -40.09 -49.72 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -55.3 -37.3 67.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLY . 4.5 mt -84.7 142.27 39.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -36.67 10.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.22 170.79 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -46.24 116.33 3.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -179.62 3.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.439 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 53.9 m -119.23 112.93 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.26 124.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' HE2' ' CG2' ' A' ' 46' ' ' THR . 67.5 mttm -142.06 123.08 14.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.98 118.95 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -111.33 147.33 35.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' LYS . 38.9 tttt -111.34 95.32 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.3 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.9 ttmt -53.03 -174.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.48 30.2 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 3.4 m-85 -110.59 123.29 49.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -121.76 124.34 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.2 m-85 -113.73 138.39 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -134.6 116.53 15.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -108.1 115.94 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -107.23 105.9 16.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.92 139.52 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -108.48 157.01 18.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.7 m -107.38 -23.5 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.85 -64.94 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -67.05 -13.73 62.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 m-20 50.89 43.98 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -122.12 145.74 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.5 109.77 21.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 107.26 18.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.44 127.41 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -122.3 149.13 44.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tp -123.0 112.12 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -104.89 137.74 42.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -131.39 108.92 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.48 155.24 29.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.9 mttt 51.97 53.64 12.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 m -68.07 135.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.69 166.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -34.75 64.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.67 -8.0 59.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -94.28 -36.78 11.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -53.54 134.13 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.29 -130.27 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 2.3 t80 -132.52 137.79 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 110' ' ' PHE . 89.1 m-85 -116.85 154.45 30.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.85 137.37 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 96' ' ' ARG . 32.6 tp -119.38 125.01 47.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -105.7 138.89 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t -143.0 110.07 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -141.67 129.79 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -125.21 -74.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.87 -16.96 14.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 80.2 m -85.93 129.22 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.3 p -127.38 117.49 22.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.87 138.9 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -143.24 147.13 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.68 124.8 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.82 174.23 19.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 95' ' ' TYR . 1.0 OUTLIER -146.68 -176.91 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.519 ' N ' ' ND2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -139.39 133.06 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 113' ' ' ASP . 5.2 mt -115.44 150.29 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . 0.471 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.2 m-20 -128.66 126.19 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 23.9 t -107.91 95.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.13 126.51 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.135 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 p -106.96 156.72 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -145.39 173.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.84 -145.46 16.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -164.31 171.39 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -153.21 165.76 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.23 134.41 3.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.19 170.79 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.9 mm-40 -90.47 128.21 36.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' GLU . 2.2 mp0 -35.59 144.02 0.25 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 134.17 27.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -83.22 45.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.44 155.58 25.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 p -66.27 -39.21 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -73.4 87.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.36 -31.83 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 5.4 tmtt? -136.83 128.94 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 84.9 mttt -102.55 143.35 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.38 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.76 133.22 49.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.3 m -45.9 127.26 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 28.0 m -113.35 123.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -95.12 109.97 21.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -113.73 168.07 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.49 143.99 32.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -48.58 137.24 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.06 84.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -95.37 -179.94 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.71 120.82 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.93 155.18 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -150.95 127.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.77 145.22 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -123.37 131.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.0 151.99 29.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -129.16 162.43 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -141.16 124.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -75.51 102.88 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -42.8 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -46.64 -52.55 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -57.82 -32.29 67.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.6 mt -83.52 142.63 43.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.0 Cg_endo -69.68 -45.32 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -128.78 177.11 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -59.72 121.88 61.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 159.77 52.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.36 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.7 m -108.57 113.21 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.456 ' N ' HD13 ' A' ' 47' ' ' ILE . 2.9 mp -91.69 118.11 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 mtmt -138.4 126.6 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.43 ' CE3' HD21 ' A' ' 82' ' ' LEU . 79.0 m95 -98.85 124.76 43.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -118.8 158.38 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HG3' ' CE2' ' A' ' 95' ' ' TYR . 47.1 tttt -121.44 120.1 33.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.68 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 5.2 ptpp? -57.5 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -76.11 46.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HG ' ' CG ' ' A' ' 53' ' ' LYS . 9.0 mt -76.09 -175.26 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -148.37 115.49 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.419 HD11 ' C ' ' A' ' 49' ' ' TRP . 10.2 mt -90.18 167.35 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.0 62.11 6.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -71.99 -47.61 50.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.07 158.92 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -82.45 61.03 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.9 42.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.46 159.02 38.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -38.51 -35.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -73.56 110.92 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -114.18 152.79 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -133.91 128.21 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -121.27 108.32 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.3 122.01 38.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -124.32 134.19 53.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.1 p80 -110.12 125.15 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -83.71 150.72 25.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.4 p -86.14 -44.34 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.34 -50.42 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -63.8 -48.13 78.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 74.67 34.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.32 133.65 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -92.48 108.22 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 m -94.27 108.42 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 25.8 m -109.72 140.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -137.66 129.05 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.43 HD21 ' CE3' ' A' ' 49' ' ' TRP . 28.4 tp -99.03 116.06 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.46 132.34 54.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.8 mt -127.11 128.71 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.55 16.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 58.82 49.3 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.9 m -61.82 147.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.22 163.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.29 -25.74 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.91 -11.49 83.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.02 -36.11 11.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.3 ptt-85 -53.36 149.52 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.91 -112.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -148.56 150.47 33.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 87.9 m-85 -130.53 178.77 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -153.2 128.73 9.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 37.1 tp -105.9 113.77 27.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -92.11 138.43 31.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.1 t -148.78 109.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -121.88 149.26 43.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -133.27 -174.81 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 101' ' ' ALA . 10.7 tptp -33.64 -58.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -131.27 -31.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.6 m -71.59 139.92 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 28.9 p -140.34 127.73 21.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.77 148.91 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.8 p -149.81 138.13 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.9 t -112.04 155.68 23.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.43 133.15 8.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.3 p90 -127.11 165.78 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.503 ' N ' HD21 ' A' ' 111' ' ' ASN . 0.8 OUTLIER -134.55 131.98 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.416 HD11 ' CE1' ' A' ' 95' ' ' TYR . 61.4 mt -111.77 151.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.75 140.23 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.9 t -119.6 93.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.44 130.33 42.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.62 157.43 49.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 155.6 65.58 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -174.64 141.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -113.14 26.95 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 37.05 -148.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -60.83 112.52 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -148.48 148.68 30.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.99 -121.55 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.4 43.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.35 158.63 15.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -91.7 156.35 42.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 135.9 31.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -125.23 -13.16 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.26 151.22 22.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.54 -39.94 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.6 m-85 -77.02 92.18 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.81 -30.76 64.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -151.28 128.75 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -93.58 148.56 35.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.7 . . . . 0.0 110.939 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.62 4.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -84.63 138.63 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 p -50.06 133.26 23.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.0 m -119.59 120.99 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -85.34 113.32 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -118.05 163.2 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -108.27 137.34 46.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.2 m -43.63 135.2 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.27 1.03 82.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.0 mmtt -105.48 -177.56 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.5 121.52 44.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.27 147.85 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.06 129.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.55 147.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.73 135.89 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.16 132.69 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.37 156.85 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -141.28 123.2 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.61 121.92 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.04 -34.16 15.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -55.79 -58.46 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -51.8 -41.24 61.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.4 mt -70.49 143.62 90.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -45.25 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -135.69 -176.57 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -60.77 123.41 74.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 162.77 40.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -104.45 112.83 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -85.87 119.08 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -151.22 125.27 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' PHE . 82.1 m95 -99.59 136.48 39.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.98 162.79 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.5 tttt -118.43 114.58 23.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.16 -92.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.4 ttpt -54.96 176.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.64 48.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.6 148.85 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -114.02 113.36 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 71.1 mt -70.92 -74.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.12 177.96 26.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 67' ' ' PHE . 17.6 m -130.24 126.28 36.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -100.31 28.01 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m 52.04 36.97 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.43 -51.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.95 160.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -66.54 -13.8 61.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -80.2 121.82 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -138.32 159.84 41.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD1' ' CD1' ' A' ' 49' ' ' TRP . 3.1 m-85 -144.26 117.61 9.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -108.69 128.26 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -117.87 135.16 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -112.76 102.54 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.86 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -96.85 156.33 16.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -100.24 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.7 -74.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -59.78 -25.2 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 61.4 42.98 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.91 150.17 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -110.58 113.48 26.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.6 m -103.69 110.47 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 m -109.69 139.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -132.47 135.35 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.9 tp -98.14 120.62 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -112.66 122.02 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 65.4 mt -125.07 102.69 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 152.06 30.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.0 mttp 53.48 53.01 12.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.2 m -61.07 165.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.5 m -150.7 165.02 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.37 -28.19 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.438 ' O ' ' NZ ' ' A' ' 51' ' ' LYS . . . -72.34 -21.68 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -79.61 -34.44 40.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.7 ptt-85 -58.2 147.72 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.26 -112.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 2.7 t80 -150.16 146.14 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.474 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 81.1 m-85 -128.1 170.31 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -138.29 130.94 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 tp -109.52 121.86 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -98.94 141.8 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 98.7 t -146.85 111.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -138.94 130.78 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.97 -75.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -121.31 -70.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.34 -19.6 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.8 m -81.83 128.32 33.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 22.8 p -119.64 120.05 35.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.5 OUTLIER -137.95 134.37 34.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.2 p -139.39 154.41 47.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m -152.4 135.96 16.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 169.16 13.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.0 p90 -144.73 166.99 23.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.28 136.8 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.65 147.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.48 128.02 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 46.8 t -113.97 92.54 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.35 126.3 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.12 155.88 86.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.083 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 159.9 51.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.338 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -99.84 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -153.6 176.18 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -114.53 3.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 t -128.77 -50.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p 44.92 41.96 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.74 -47.55 2.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.68 122.83 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -79.0 135.6 36.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -111.08 143.73 28.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.68 0.753 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 145.96 58.36 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -65.01 -54.68 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 126.81 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.8 p -55.29 -40.36 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.19 97.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.76 -33.26 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -149.6 128.85 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -92.89 152.92 41.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.516 0.674 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 102.14 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.73 142.61 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -55.59 142.87 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 m -130.89 125.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -92.1 118.33 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -120.91 167.4 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -114.12 137.59 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -40.24 125.27 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.32 -3.05 63.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -98.88 175.7 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.36 120.95 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 153.86 23.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.547 HG22 ' CE1' ' A' ' 83' ' ' HIS . 18.5 t -143.42 132.42 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.15 116.0 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 151.52 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.82 124.65 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -98.53 143.38 29.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -131.38 123.25 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.79 111.37 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.51 -45.05 30.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -49.08 -47.55 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.77 -40.26 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -79.73 141.51 55.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.76 3.12 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.53 -178.29 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -66.55 124.13 87.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.41 ' HB2' ' CG1' ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.74 164.65 33.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -102.74 113.24 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -88.99 115.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -141.66 123.92 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -100.32 117.68 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CG ' ' HA ' ' A' ' 54' ' ' TRP . 60.5 m-85 -110.04 145.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' CB ' HD22 ' A' ' 57' ' ' LEU . 19.0 ttmt -111.75 88.93 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.74 -92.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -99.7 87.55 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' LYS . 45.8 p-90 31.64 38.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 53' ' ' LYS . 7.4 mt -78.27 99.75 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.31 106.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.462 HD22 ' CB ' ' A' ' 51' ' ' LYS . 94.9 mt -85.63 -176.92 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' SER . . . 129.97 -178.94 17.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' GLY . 19.2 m -36.33 -49.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.413 . . . . 0.0 110.859 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -44.97 -48.26 11.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -72.44 -37.59 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.39 136.48 2.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -22.94 35.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.071 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -61.16 -31.22 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.58 106.35 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -115.7 144.53 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -125.47 120.89 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -112.15 112.86 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -120.61 121.04 37.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -125.33 121.57 34.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -97.94 133.8 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.74 151.97 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -96.25 -27.01 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.29 -68.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.27 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 67.9 45.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -120.96 137.53 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -92.89 106.2 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.4 m -88.68 103.19 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.4 m -109.68 131.51 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -126.01 155.9 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 13.7 tp -129.51 102.56 6.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.547 ' CE1' HG22 ' A' ' 31' ' ' VAL . 12.1 m-70 -99.42 133.59 43.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -129.28 101.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.41 151.5 29.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 59.02 54.06 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.0 m -67.39 153.96 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.6 m -138.99 165.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 89' ' ' LEU . 0.8 OUTLIER -57.16 -23.17 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -7.62 88.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -96.79 -31.98 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptt85 -57.53 145.85 32.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.49 -117.13 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 2.1 t80 -150.92 140.75 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 36.1 m-85 -116.58 -175.2 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -161.25 128.76 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.4 tp -101.42 116.99 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.59 124.42 41.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 45' ' ' PRO . 67.0 t -139.82 114.72 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -126.56 143.54 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.414 ' N ' ' HG2' ' A' ' 100' ' ' LYS . . . -127.95 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -39.77 -68.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -128.16 24.87 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 98.3 m -138.03 116.53 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.2 t -125.77 131.84 52.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.66 138.87 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.9 p -136.88 151.02 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.8 t -138.8 136.14 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.25 150.38 18.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.571 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -129.29 -175.16 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -133.89 142.89 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 113' ' ' ASP . 12.5 mt -130.32 137.63 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.425 ' N ' HG22 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -122.71 135.38 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -118.49 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.27 135.42 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -77.22 160.3 76.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.137 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 146.54 60.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -58.65 168.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -80.87 -58.77 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 -46.72 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -111.9 -60.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -71.5 112.71 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.21 -175.71 14.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.09 115.53 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.83 133.22 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.88 150.24 19.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.638 0.732 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.91 58.67 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.5 p -124.6 80.36 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.91 170.75 12.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' A' ' 41' ' ' LEU . 96.2 t -93.48 -49.75 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.99 99.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.14 -41.46 92.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -139.12 128.78 24.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -94.27 151.36 39.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.79 155.52 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -69.52 129.24 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.1 m -122.86 123.55 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.65 113.16 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -108.71 168.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.66 137.97 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -42.69 131.23 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.25 1.34 78.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -102.96 177.63 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.51 120.66 42.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.68 154.48 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.74 130.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 HG23 ' CE2' ' A' ' 110' ' ' PHE . 63.2 t -123.09 136.56 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.64 129.68 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.38 124.97 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -101.77 155.87 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.0 t -140.36 129.19 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 36.4 t-20 -71.85 108.2 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.14 -47.25 31.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.85 -49.71 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 38.4 mm-40 -50.9 -44.01 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' A' ' 14' ' ' VAL . 6.6 mt -72.36 143.33 85.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -28.4 25.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.292 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -150.14 -178.16 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -63.57 120.75 65.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.5 41.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -100.83 112.77 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.2 mm -85.33 114.7 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -140.09 133.19 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -110.76 144.81 39.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -138.4 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.4 ttmt -127.34 96.29 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.08 -76.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 51' ' ' LYS . 2.2 pttt -92.95 -174.95 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' LEU . 1.7 p90 -40.91 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD1' ' HE3' ' A' ' 53' ' ' LYS . 14.2 mt -33.74 107.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -101.62 131.07 48.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.85 155.37 18.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.82 -176.95 45.39 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 t -122.95 130.82 53.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -127.77 -59.75 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 t -128.22 45.88 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.03 67.0 1.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.44 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 91' ' ' ASP . 15.7 ptt180 -51.56 -31.44 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -76.63 104.9 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.8 m -115.9 137.77 51.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.5 m-30 -111.96 117.87 33.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -104.03 108.34 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.2 136.43 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -134.1 103.1 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -91.26 124.33 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.34 146.74 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 p -85.55 -39.64 17.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.53 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -59.97 -39.0 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 69.91 45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.457 HG21 ' N ' ' A' ' 78' ' ' TYR . 7.2 p -124.02 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.457 ' N ' HG21 ' A' ' 77' ' ' VAL . 6.3 m-85 -97.16 110.59 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 m -98.37 100.1 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.6 m -101.93 137.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -132.58 138.0 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.3 tp -108.42 118.28 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -107.54 131.4 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.47 107.67 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.04 152.07 22.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt 55.55 47.64 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 m -55.1 150.4 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.14 159.97 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 89' ' ' LEU . 3.0 mm? -53.46 -19.49 3.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.24 -21.45 54.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 64' ' ' ARG . 8.6 m-20 -80.28 -26.51 38.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 4.4 ptt85 -65.58 151.41 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.59 -110.86 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.4 t80 -150.45 143.56 24.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 112' ' ' ILE . 49.3 m-85 -120.21 178.51 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -151.42 138.92 19.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.33 120.71 40.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -99.26 139.34 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -150.17 123.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -133.51 146.43 51.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 104' ' ' THR . . . -137.86 -176.45 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' ALA . 45.6 mttt -38.26 -71.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -125.0 29.01 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 101' ' ' ALA . 87.7 m -143.56 123.45 13.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.67 129.49 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.99 153.79 37.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.3 p -140.83 152.79 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.8 t -146.23 136.78 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.1 163.34 13.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 7.4 p90 -140.43 179.81 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -130.48 137.83 49.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.517 HD12 ' CE1' ' A' ' 95' ' ' TYR . 37.3 mt -123.96 144.14 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.7 129.08 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 81.3 t -110.25 91.53 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.13 143.79 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.36 151.54 37.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 149.84 67.11 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -132.2 115.37 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -75.69 74.32 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.63 137.14 14.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -159.54 165.32 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -112.53 128.63 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.28 71.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 67.49 44.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -103.86 112.5 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.25 140.02 32.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.84 41.35 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 m -82.15 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.88 -161.63 10.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.55 -37.31 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.87 97.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.31 -32.27 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -148.71 129.28 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -101.22 146.22 31.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.65 14.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -94.49 132.62 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -40.49 137.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.44 126.16 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.34 115.26 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -115.01 168.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -101.07 153.07 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.7 m -60.19 136.59 58.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.81 -0.96 86.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -100.47 -175.03 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.25 121.0 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.16 148.81 26.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.6 t -136.5 126.13 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.81 118.52 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG11 ' N ' ' A' ' 34' ' ' ALA . 94.0 t -97.46 139.1 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' HG11 ' A' ' 33' ' ' VAL . . . -159.05 129.1 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.64 156.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -139.89 125.77 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -74.08 121.86 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -44.43 7.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -47.85 -55.71 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -48.91 -42.45 37.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.5 140.38 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -44.45 2.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 11.2 t0 -127.55 -175.62 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -64.09 121.17 70.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 159.83 51.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 m -116.18 112.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' N ' HD12 ' A' ' 47' ' ' ILE . 2.8 mp -85.89 134.15 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -158.26 126.92 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.554 ' CE3' HD21 ' A' ' 82' ' ' LEU . 59.5 m95 -99.64 127.19 45.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.44 140.6 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -103.42 103.9 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.7 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.4 ttpt -52.46 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.33 48.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.72 178.31 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -142.92 108.77 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 51.8 mt -58.71 -50.82 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -34.42 129.53 0.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -144.19 -179.89 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -51.91 154.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -40.07 -35.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.36 93.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.32 150.57 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -12.31 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 70.0 m-85 -80.34 113.07 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -119.44 150.66 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -140.13 120.87 14.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -113.9 109.0 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -116.3 128.04 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -128.44 100.07 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -83.88 133.18 34.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.9 149.44 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -99.02 -9.65 23.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.24 -48.9 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -91.07 0.46 57.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 37.71 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.0 141.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -109.18 103.05 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -88.33 108.15 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.421 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 21.2 m -111.35 140.98 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.3 mp0 -135.97 126.72 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 HD21 ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -100.62 108.77 20.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -105.94 130.9 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.9 mt -126.32 105.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.22 155.61 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt 56.02 42.61 28.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -56.06 167.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -152.71 170.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.76 -42.12 88.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.02 -21.94 56.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -77.52 -49.13 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 4.6 ptt-85 -43.94 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.77 -108.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -148.92 153.07 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HB2' ' CE1' ' A' ' 110' ' ' PHE . 89.2 m-85 -137.95 171.4 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -150.18 132.76 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.42 117.62 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -97.93 133.07 42.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.88 112.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -137.36 129.89 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 43' ' ' ASP . . . -98.35 -75.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -123.49 -71.33 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -113.67 -16.28 12.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 93.4 m -92.36 127.55 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.36 109.22 12.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.82 138.47 54.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 p -141.25 154.09 45.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.4 p -118.69 160.62 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -133.12 120.18 2.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 95' ' ' TYR . 52.6 p90 -132.21 164.76 25.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -125.49 151.29 46.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.448 HG22 ' N ' ' A' ' 113' ' ' ASP . 31.5 mt -126.04 149.48 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.448 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.4 m-20 -124.12 128.76 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 86.3 t -112.68 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.87 132.04 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -76.38 157.45 82.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.167 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 172.53 12.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.7 mtt-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 p -102.25 83.13 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -54.47 100.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.44 -47.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -113.3 144.24 43.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -89.4 83.14 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.99 -73.21 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 140.78 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -92.28 61.43 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -116.47 149.4 43.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 141.65 45.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -85.13 -12.81 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.95 174.76 41.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.7 m -119.06 -20.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.88 95.19 10.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.27 -37.11 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -142.74 130.03 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -95.51 149.37 36.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -74.69 139.63 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 138.44 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.8 m -133.62 117.76 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -93.54 106.18 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -101.01 168.27 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -100.11 137.26 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.1 m -46.15 137.04 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -7.48 77.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 45.7 mmtt -94.66 -175.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.99 125.48 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.6 153.45 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -148.86 127.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.8 t -115.92 153.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.6 t -127.82 128.8 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.87 125.63 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -105.32 155.01 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.86 119.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -72.03 108.62 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.07 -40.41 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -49.73 -55.74 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.303 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -53.61 -39.25 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.1 mt -74.85 141.24 75.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.937 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -42.69 3.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.64 -178.9 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -63.06 119.19 49.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.57 65.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -103.44 113.06 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 47' ' ' ILE . 2.5 mp -89.25 128.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.57 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 70.5 mttt -149.36 123.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -93.01 115.99 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 95.2 m-85 -113.14 151.49 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -96.22 167.12 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -40.85 -34.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -91.8 -174.81 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -83.18 36.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -83.57 -176.54 6.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -149.19 107.42 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.5 mt -76.42 167.48 21.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.24 46.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.0 m -122.35 -177.92 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -88.22 -6.78 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -83.44 -40.17 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.58 64.81 0.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.25 -54.71 19.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -38.8 -36.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.0 111.45 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 m -127.37 138.64 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.7 m-85 -115.62 120.0 37.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.405 ' HD2' ' NE2' ' A' ' 83' ' ' HIS . 63.6 mttt -106.77 112.36 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 6.7 tm-20 -117.83 129.54 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -130.28 101.24 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.464 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 4.4 t-80 -84.1 134.92 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -102.54 153.18 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 t -99.56 -7.47 25.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.59 -60.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -71.94 -12.5 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.44 48.15 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.58 133.8 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 30.8 m-85 -97.86 101.03 12.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 m -84.98 113.83 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.8 m -115.32 138.58 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -133.96 141.94 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.81 120.62 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' NE2' ' HD2' ' A' ' 68' ' ' LYS . 9.5 m-70 -112.97 129.26 56.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 mt -124.89 105.27 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.17 146.56 21.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 60.75 40.92 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 28' ' ' LYS . 1.7 m -51.49 148.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 m -137.29 167.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 89' ' ' LEU . 1.4 mm? -59.9 -30.97 69.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.34 -17.48 74.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.26 -39.76 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 2.8 ptt85 -51.67 142.94 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.44 -111.74 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 95' ' ' TYR . 10.3 t80 -146.57 155.01 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.559 ' CE1' HD12 ' A' ' 112' ' ' ILE . 88.4 m-85 -142.58 152.25 42.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -123.53 138.35 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.4 tp -113.74 112.68 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -91.85 137.62 32.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.41 109.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.15 151.58 38.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -130.82 -174.63 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' ALA . 27.0 tttt -32.91 -59.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.77 -31.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.4 m -73.3 146.44 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.1 p -140.58 129.95 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.4 148.62 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.2 p -150.34 139.12 20.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.1 t -119.59 160.95 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -135.45 143.65 15.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.468 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 1.5 p90 -131.51 176.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.2 m-20 -136.17 139.17 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 95' ' ' TYR . 34.4 mt -120.83 143.08 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.459 ' N ' HG21 ' A' ' 112' ' ' ILE . 8.6 m-20 -124.54 131.5 53.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 85.0 t -112.69 94.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.1 131.61 46.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.61 154.25 41.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 147.69 63.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -162.78 122.45 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -83.3 -58.39 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.802 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.38 -111.95 1.98 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -72.41 115.78 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -68.12 97.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.39 177.24 48.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 142.41 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.75 131.62 55.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.42 146.74 92.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.61 65.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.0 t -112.73 -42.62 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -158.49 -161.6 11.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 m -104.82 -21.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 111.141 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.0 86.42 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -46.44 -41.14 13.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -142.47 137.02 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -104.31 148.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.433 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.1 Cg_endo -69.79 101.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.21 137.65 45.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 p -47.5 134.08 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.0 m -129.72 120.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -96.8 117.47 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 m -115.94 168.36 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -94.19 149.58 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.3 m -58.79 126.04 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.54 -7.31 61.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -92.05 -175.78 4.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.92 122.17 46.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.8 21.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.0 t -149.17 125.09 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 87.4 t -114.83 155.85 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 69.7 t -132.54 135.05 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.72 126.59 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -99.48 151.09 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.35 110.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.77 110.25 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.22 -44.11 53.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -40.16 -52.69 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -57.34 -37.32 72.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 38' ' ' GLY . 38.0 mt -74.74 144.16 79.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.434 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.6 Cg_endo -69.73 -32.17 19.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -154.4 -178.73 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -52.22 121.87 22.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -174.79 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.1 m -119.8 116.52 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.7 mm -93.96 117.33 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -146.83 130.89 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -112.47 114.13 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -107.18 150.81 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 52' ' ' GLY . 26.1 tttm -106.09 88.22 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.55 37.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -174.28 -175.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -74.71 -4.98 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.02 144.48 39.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -118.76 96.77 5.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 34.6 mt -52.06 175.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.57 136.58 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.9 t -84.0 82.54 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -88.85 -49.54 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.5 p -119.72 40.96 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.56 79.98 1.09 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -122.36 144.17 49.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -5.49 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -87.49 106.26 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m -120.95 141.3 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -113.93 138.91 49.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -121.33 109.34 14.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' CD ' ' N ' ' A' ' 70' ' ' SER . 3.3 tp10 -125.78 130.82 52.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.512 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 3.1 m -132.44 109.38 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.521 ' CD2' ' CZ ' ' A' ' 78' ' ' TYR . 7.7 t-80 -86.53 122.95 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 73' ' ' SER . 25.1 t-20 -98.3 152.94 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 15.6 t -88.38 -71.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.49 23.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -67.81 -47.26 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 73.25 40.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -126.45 137.81 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.521 ' CZ ' ' CD2' ' A' ' 71' ' ' HIS . 24.8 m-85 -99.73 107.32 19.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 m -89.76 96.36 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 35.0 m -99.19 131.58 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -133.31 144.44 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.3 tp -110.94 125.86 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -116.96 136.33 53.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -133.84 123.32 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.2 18.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 55.91 48.37 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.4 m -59.18 147.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -135.98 164.21 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.77 -38.07 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.42 57.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -93.54 -29.47 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 ptt85 -62.85 147.25 50.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 -114.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.4 OUTLIER -144.52 149.67 36.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.947 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.51 ' CE1' HD13 ' A' ' 112' ' ' ILE . 52.6 m-85 -132.0 173.15 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -147.92 145.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.69 117.25 26.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -94.13 127.93 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -139.0 110.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.04 132.7 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.88 -73.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 76.1 mttt -126.68 -75.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -107.8 -17.89 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.9 m -90.09 127.68 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.0 t -133.93 112.47 11.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.51 114.2 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.8 p -120.32 139.05 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.09 162.53 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -137.25 125.29 3.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.442 ' C ' ' OD1' ' A' ' 111' ' ' ASN . 30.4 p90 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 m120 -137.71 140.49 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 95' ' ' TYR . 35.3 mt -117.26 146.06 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.82 126.14 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 96.0 t -107.16 99.06 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.91 125.56 29.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.88 150.29 68.79 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.19 67.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -112.62 167.92 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -114.65 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -65.27 109.66 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -155.4 167.62 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.49 92.68 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.05 45.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.62 133.38 50.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -104.78 151.53 39.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.9 61.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.5 p -91.02 -60.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.06 -169.26 11.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -72.48 -23.98 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -90.43 89.09 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.76 -34.65 12.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -141.15 131.61 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 145.36 30.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.679 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -82.01 148.64 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 p -53.29 135.98 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.7 m -133.56 117.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -95.14 112.93 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.27 168.4 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -101.77 139.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -46.35 138.51 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.48 -6.6 79.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -95.1 -176.76 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.67 121.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 146.0 25.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG23 ' CE1' ' A' ' 83' ' ' HIS . 44.7 t -138.97 128.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.89 135.02 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.28 135.23 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -155.59 149.28 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -125.81 157.94 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.09 124.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -75.0 102.37 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.51 74.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -45.46 -42.2 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.74 -30.06 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -85.96 142.59 36.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.446 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.82 -44.53 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.85 -176.28 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.48 123.14 60.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.32 60.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -96.14 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.9 mm -91.8 121.69 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -154.26 130.27 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.411 ' CE2' ' HB2' ' A' ' 82' ' ' LEU . 79.3 m95 -105.25 120.03 40.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.95 157.92 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 28.9 tttt -117.03 107.82 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.18 -93.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LYS . 6.5 ttmt -52.93 -176.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.756 0.312 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -80.92 43.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.48 158.14 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -120.91 125.56 47.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -96.96 174.96 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.7 144.88 10.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 t -162.63 173.8 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 12.5 ttmt -93.09 -46.62 7.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 30.3 t -37.89 -56.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.52 72.06 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.83 167.78 12.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.58 -27.77 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.446 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 59.5 m-85 -73.68 103.95 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 m -118.26 138.7 52.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-30 -113.05 132.32 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -118.43 108.9 15.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -117.53 123.5 46.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 2.7 m -130.03 114.5 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -94.28 135.69 35.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -97.68 148.67 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.5 p -89.1 -22.69 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 -71.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 m -63.92 -20.1 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 55.92 44.48 25.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 78' ' ' TYR . 6.5 p -121.81 136.39 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.406 ' N ' HG23 ' A' ' 77' ' ' VAL . 40.9 m-85 -93.49 109.19 20.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.1 m -86.93 99.16 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 24.2 m -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -140.99 131.09 24.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 49' ' ' TRP . 23.9 tp -102.46 120.86 41.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 31' ' ' VAL . 12.1 m170 -109.31 135.84 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.65 115.07 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.77 146.26 18.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 64.25 42.38 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 m -53.07 139.63 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.18 161.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.41 -32.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.63 -29.89 72.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -27.51 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -69.21 134.37 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.45 -108.45 0.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.3 t80 -144.57 150.69 37.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.561 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 76.9 m-85 -138.74 172.4 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -156.51 146.04 20.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 tp -120.14 117.99 29.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.67 136.12 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -146.96 114.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -144.29 131.32 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.58 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.446 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 18.1 mmtp -131.85 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -125.97 19.77 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.8 m -125.2 82.67 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.14 126.84 33.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.37 123.4 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.1 p -131.49 153.83 49.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.77 157.08 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -130.44 129.66 5.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 2.4 p90 -127.4 -178.62 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.99 132.03 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.37 147.2 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.74 126.14 46.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.31 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.15 141.62 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.86 154.34 52.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.79 63.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -127.52 -54.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 p -69.42 128.35 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.59 143.41 20.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 39.6 t -134.69 150.9 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.5 p -34.87 138.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.07 102.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.35 162.61 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.721 0.296 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -130.45 130.48 44.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.22 154.08 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.29 39.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.8 m -92.44 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.68 -156.46 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 m -67.03 -21.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.11 97.53 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.4 mt -57.32 -32.61 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -150.22 131.06 14.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -97.81 151.41 37.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.518 0.675 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 110.96 2.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.7 137.39 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.2 p -46.52 123.42 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.9 134.45 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.3 p -98.98 124.4 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -129.94 164.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -107.56 144.61 34.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.75 134.41 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.16 -6.33 83.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.473 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 45.4 mmtm -96.0 -178.3 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.58 125.38 53.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.74 154.83 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' CE1' ' A' ' 83' ' ' HIS . 84.8 t -148.74 127.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.6 143.33 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.24 130.6 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.39 130.11 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -105.29 154.26 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -139.4 121.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.22 110.41 8.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -33.04 54.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.3 -42.87 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.49 -26.6 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mt -93.21 146.94 32.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.43 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -127.67 175.61 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -56.21 119.55 28.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 165.54 30.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.2 m -111.88 112.79 24.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.1 mp -86.7 125.45 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtpt -141.4 130.25 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 88.2 m95 -104.21 131.19 51.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -132.47 138.09 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' LYS . 19.3 ttmt -107.34 101.83 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.43 -91.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' LYS . 8.2 ttpt -56.28 178.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -75.9 48.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -93.95 160.89 14.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -122.66 102.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 15.4 mt -72.17 -31.11 65.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.559 ' HA2' ' CZ ' ' A' ' 67' ' ' PHE . . . -34.33 151.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -71.84 66.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.4 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -127.44 -28.79 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -132.32 16.02 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.83 135.29 3.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.94 -40.63 31.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.557 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 69.0 m-85 -75.19 99.92 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -105.89 139.68 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' HA2' ' A' ' 58' ' ' GLY . 4.7 m-85 -135.14 123.09 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -110.75 117.28 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.503 ' OE2' ' CG1' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -97.52 135.61 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -134.35 106.59 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -100.48 116.29 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 11.5 m120 -85.08 156.98 20.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.0 p -93.0 -52.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.31 -52.54 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.3 m -70.63 -29.15 65.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.36 44.68 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -122.47 143.14 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -100.58 107.83 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -95.8 102.57 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' CG1' ' OE2' ' A' ' 69' ' ' GLU . 12.6 m -102.73 132.36 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -121.18 129.08 53.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.544 HD12 ' CE2' ' A' ' 67' ' ' PHE . 8.1 tp -101.75 109.03 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.514 ' CE1' HG13 ' A' ' 31' ' ' VAL . 9.6 m170 -107.27 122.29 46.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 85' ' ' GLY . 56.8 mt -115.08 138.59 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.411 ' N ' HG23 ' A' ' 84' ' ' ILE . . . -109.53 148.5 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.1 mttt 60.91 49.91 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 28' ' ' LYS . 2.9 m -60.12 135.79 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.38 164.9 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -56.94 -22.11 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.42 -12.57 84.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -89.77 -44.23 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.79 0.329 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.9 ptt85 -46.79 147.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.32 -114.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.97 148.92 41.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.545 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 57.8 m-85 -131.39 167.41 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -145.78 136.41 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 38.9 tp -113.5 117.33 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.19 134.25 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.5 t -140.63 109.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -134.64 145.27 48.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 -75.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.69 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.78 -16.89 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.2 m -90.45 133.02 35.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.84 118.54 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.02 148.0 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -147.55 143.97 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.8 t -110.17 162.34 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -138.25 125.96 3.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -119.51 -175.15 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -141.08 132.22 26.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 95' ' ' TYR . 14.4 mt -112.04 146.49 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.64 130.75 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.02 100.97 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.81 145.26 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -96.55 154.53 38.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.717 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 153.83 68.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -103.45 111.37 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -38.6 133.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.68 76.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -114.24 166.14 11.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -147.74 116.26 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.13 -94.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.87 178.26 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -107.18 128.76 54.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.09 148.73 38.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -78.17 -56.53 4.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.36 -173.78 19.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 106' ' ' ASP . 10.3 p -68.49 -30.73 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' CD2' ' SG ' ' A' ' 108' ' ' CYS . 5.5 m-85 -81.26 97.52 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.98 -32.12 73.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 2.2 tmtp? -137.29 129.12 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 13.0 mttm -102.97 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 101.52 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.45 141.67 48.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -57.17 124.95 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 14.0 m -111.85 117.41 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -83.41 129.45 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.96 168.14 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.53 152.38 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.5 m -53.99 130.9 39.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 -8.43 77.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 mmtt -88.62 -175.06 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -114.62 124.71 52.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 149.12 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG23 ' CE1' ' A' ' 83' ' ' HIS . 21.7 t -138.75 129.87 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.72 116.21 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.76 148.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.91 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' CB ' ' A' ' 17' ' ' LYS . 58.3 mttt -138.33 154.05 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.19 124.42 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.09 111.72 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.22 -42.72 41.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.87 -53.56 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.295 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.32 -30.26 59.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -88.5 142.34 31.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -38.17 7.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -139.82 -175.38 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -60.06 119.87 45.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 161.55 45.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.286 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -105.93 112.72 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.437 HG12 ' CG1' ' A' ' 80' ' ' VAL . 3.1 mp -87.62 132.09 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.428 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 9.3 mtpt -147.08 139.48 24.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.494 ' CE3' HD23 ' A' ' 82' ' ' LEU . 85.8 m95 -115.51 121.41 42.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.4 154.31 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' LYS . 23.8 ttmt -120.02 93.97 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.34 -88.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.8 ttmm -55.42 -174.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.86 4.02 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -52.51 150.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -128.15 115.36 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mt -80.18 -175.76 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.95 -173.18 36.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -128.18 139.21 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 24.36 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t 71.02 28.27 3.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.41 64.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.38 150.18 31.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 7.8 ptp180 -48.6 -32.05 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.406 ' N ' ' HG3' ' A' ' 64' ' ' ARG . 67.5 m-85 -77.12 117.77 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.7 m -123.71 126.48 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 8.0 m-85 -113.87 121.52 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -117.7 108.07 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -106.3 124.72 50.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 69' ' ' GLU . 37.8 m -109.59 108.38 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.423 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -88.83 112.57 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -97.45 155.56 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.5 t -102.95 -58.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -68.01 -20.73 65.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 53.97 49.98 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.87 134.13 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -93.2 121.89 35.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 m -107.77 108.43 19.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.437 ' CG1' HG12 ' A' ' 47' ' ' ILE . 32.9 m -104.49 139.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -129.48 136.17 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.494 HD23 ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -118.17 108.57 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' CE1' HG23 ' A' ' 31' ' ' VAL . 8.9 m170 -106.78 137.7 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -130.09 111.41 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -88.98 148.32 20.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 32.1 mtmt 60.77 54.17 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -63.32 157.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.23 167.37 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.425 ' N ' HD22 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -55.77 -32.44 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.54 -9.54 74.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.02 -38.94 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.6 ptt85 -56.38 144.21 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -111.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 1.3 t80 -154.75 146.75 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.5 ' O ' ' CZ ' ' A' ' 94' ' ' TYR . 64.9 m-85 -125.64 179.97 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -149.92 132.65 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.428 ' CD1' ' O ' ' A' ' 48' ' ' LYS . 68.0 tp -113.07 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -92.42 139.79 30.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.409 HG23 ' CZ ' ' A' ' 15' ' ' PHE . 53.6 t -139.04 120.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -147.31 151.5 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.09 -73.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -127.28 -75.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -111.19 -7.42 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.6 m -100.22 128.82 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.62 108.25 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.413 ' CG ' HG13 ' A' ' 14' ' ' VAL . 1.3 m-20 -127.07 153.41 46.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 p -148.75 157.2 43.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.471 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 72.0 m -153.33 121.78 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.81 157.88 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.477 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 1.4 p90 -129.93 -175.0 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -139.16 135.8 34.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 48.0 mt -123.38 150.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -126.17 141.16 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.9 t -125.12 91.64 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -79.43 118.77 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.22 164.81 58.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 111.064 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 157.08 61.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -95.09 171.48 8.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -94.74 142.5 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.83 160.7 25.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -156.79 141.55 16.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -71.11 158.52 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 -129.57 2.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.65 -176.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -127.08 112.01 14.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 13.3 tt0 -123.62 143.44 41.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.706 0.765 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.73 143.87 52.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -42.76 -57.19 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.02 178.78 19.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.8 t -74.52 -43.07 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.556 ' CE1' HG23 ' A' ' 99' ' ' VAL . 5.2 m-85 -71.64 100.54 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -137.77 131.19 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -102.83 145.55 30.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.92 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -79.09 129.0 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 m -37.51 133.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.4 m -123.32 121.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -87.06 113.69 23.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -117.24 167.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.99 139.45 47.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -47.14 136.03 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.92 84.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -98.11 -175.86 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.55 120.89 41.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.4 148.17 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.61 124.65 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.83 143.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.25 136.76 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -163.37 145.41 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -120.6 161.44 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -141.75 122.01 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -73.65 111.43 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 39' ' ' LYS . . . -74.77 -53.5 6.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' GLY . 24.8 mtpt -35.05 -69.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -39.97 -44.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.1 mt -67.03 143.54 97.97 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.41 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.5 Cg_endo -69.68 -49.05 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 5.5 t70 -125.52 -175.66 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -63.1 119.65 54.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 148.18 64.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -107.59 112.86 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mp -93.73 130.3 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -143.99 123.65 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.592 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 87.8 m95 -89.87 113.59 25.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.29 153.17 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 53' ' ' LYS . 15.8 ttmm -109.64 91.26 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.31 -90.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' LYS . 28.3 mtmt -52.5 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -80.23 43.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.75 157.58 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -124.72 115.96 21.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.99 -69.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.31 -162.86 12.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.523 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -115.16 154.37 29.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -129.66 157.54 41.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 m -45.09 -23.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.11 55.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -99.79 148.03 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -12.12 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -78.16 109.89 12.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -119.01 135.43 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.592 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 7.6 m-85 -120.21 130.32 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -118.77 107.82 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.85 118.36 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -110.05 102.68 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -93.2 120.87 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 27.7 m-80 -96.87 154.6 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.0 p -100.05 -12.7 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.78 -64.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' ASN . 2.1 m -70.96 -1.98 13.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.429 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m120 35.93 51.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.18 135.21 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -102.22 102.48 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.2 m -88.49 113.89 24.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.36 144.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.98 123.92 16.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 25.0 tp -94.81 120.72 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -114.39 116.43 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.4 mt -116.99 124.48 73.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.18 151.7 17.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp 56.51 43.18 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.72 140.49 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.56 160.27 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -49.68 -34.02 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -26.97 71.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -70.42 -36.19 73.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.6 ptt-85 -59.89 139.46 57.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.86 -95.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.8 t80 -165.35 144.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.572 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 90.1 m-85 -125.53 178.97 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.953 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -151.68 143.21 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 30.5 tp -121.13 119.5 32.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -97.95 139.22 34.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.556 HG23 ' CE1' ' A' ' 15' ' ' PHE . 47.4 t -139.49 117.05 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -147.53 132.57 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 43' ' ' ASP . . . -113.19 -75.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 13.6 tptp -115.17 -69.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -16.43 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.5 m -80.41 135.38 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.1 p -135.14 104.92 6.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.45 148.47 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 p -148.88 152.67 36.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.6 p -120.48 157.91 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.15 121.24 2.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -124.42 175.92 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.414 HD21 ' N ' ' A' ' 112' ' ' ILE . 0.3 OUTLIER -133.92 140.9 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.414 ' N ' HD21 ' A' ' 111' ' ' ASN . 19.0 mt -121.04 146.41 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.94 135.2 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.422 ' CG2' ' OD2' ' A' ' 91' ' ' ASP . 72.4 t -118.86 102.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.3 135.46 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.08 154.43 39.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.03 64.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' 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 full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -110.01 118.54 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -100.03 110.48 22.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.15 173.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -119.59 108.15 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -146.7 111.74 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 102.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.04 125.8 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -139.56 150.46 45.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -83.43 151.81 62.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -174.46 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 m -74.77 -70.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.7 -153.44 17.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.5 m -88.34 -24.62 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -101.52 92.63 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.23 -36.06 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -147.79 133.59 19.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -104.19 150.92 38.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.458 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 121.21 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.11 131.65 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.7 p -42.59 123.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -111.8 135.56 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -101.17 115.52 30.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.92 165.4 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.86 148.76 23.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.8 m -58.14 127.56 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 12.33 57.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -113.23 -176.6 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -108.02 120.67 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.31 148.85 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG21 ' CE1' ' A' ' 83' ' ' HIS . 96.8 t -139.63 141.22 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 89.5 t -136.24 133.76 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.6 132.39 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.91 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -108.97 155.82 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -139.94 120.87 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -72.57 111.71 7.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -70.86 -50.85 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -38.04 -58.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -48.33 -41.7 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -74.12 140.51 76.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.923 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -42.12 3.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.301 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -139.28 177.78 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -49.28 120.52 10.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -106.93 112.95 26.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 80' ' ' VAL . 25.9 mm -90.68 111.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 6.6 mtpp -148.04 137.62 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.408 ' CZ2' ' HB2' ' A' ' 82' ' ' LEU . 76.7 m95 -109.33 156.29 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.416 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 79.7 m-85 -152.63 160.41 43.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -120.95 108.47 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 37.15 -91.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.95 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -82.78 24.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.3 -177.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -149.58 118.41 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.455 ' O ' ' C ' ' A' ' 58' ' ' GLY . 16.9 mt -79.36 -65.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -33.71 114.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -159.84 158.2 30.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -88.13 -19.67 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -74.78 -43.32 55.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.09 140.52 16.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.06 -42.72 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -38.4 -43.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.06 99.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.2 m -107.54 145.65 32.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -131.88 120.52 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -120.63 112.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.37 120.72 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -126.0 124.22 40.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -102.76 136.71 42.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' N ' HD21 ' A' ' 72' ' ' ASN . 1.5 m-80 -92.65 152.13 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -86.97 -34.12 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -59.29 -38.11 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 68.56 45.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.26 136.28 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.28 103.11 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 m -83.08 105.3 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 47' ' ' ILE . 26.2 m -105.47 142.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -134.71 145.54 48.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.408 ' HB2' ' CZ2' ' A' ' 49' ' ' TRP . 34.5 tp -120.95 105.93 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.498 ' CE1' HG21 ' A' ' 31' ' ' VAL . 14.0 m-70 -104.19 129.18 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.5 mt -125.29 111.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.02 156.15 26.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt 56.34 49.96 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 m -66.83 137.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.7 167.71 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.76 -27.73 43.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.18 -23.54 77.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' ARG . 38.6 m-20 -78.21 -55.85 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 5.4 ptt85 -35.75 145.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.26 -111.5 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -148.09 153.33 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 29.7 m-85 -140.1 178.09 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.16 140.07 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.89 120.75 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -91.7 130.51 37.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -141.98 109.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -143.91 118.16 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.62 -71.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -126.7 -66.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.99 -28.61 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.6 m -73.76 121.72 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.6 112.51 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.35 131.46 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.0 p -139.54 143.06 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.3 t -107.72 160.37 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.54 119.15 2.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 13.0 p90 -117.75 -179.75 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 110' ' ' PHE . 2.3 m-80 -143.78 133.49 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 113' ' ' ASP . 62.3 mt -111.85 154.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.444 ' N ' HG23 ' A' ' 112' ' ' ILE . 2.8 t70 -129.11 137.92 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 60.7 t -120.5 92.5 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.65 125.0 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.56 154.27 93.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 179.96 3.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.434 -0.267 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -133.76 119.67 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -119.54 80.95 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.59 44.32 97.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -56.33 147.45 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -108.13 151.84 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 95.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.45 107.18 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -126.14 169.49 12.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -78.55 144.89 66.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 128.35 15.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.327 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -74.84 -42.67 57.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.3 164.61 10.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.9 t -91.07 -41.46 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 111.167 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -74.59 88.89 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.54 -31.12 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -150.66 128.75 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.1 mppt? -100.32 148.89 35.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.82 4.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.61 146.57 27.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 p -53.07 124.43 14.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.63 129.74 73.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -97.9 133.64 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.15 165.73 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -110.81 143.28 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.27 133.01 16.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 2.5 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -106.5 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.49 123.73 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.96 147.38 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG21 ' CE1' ' A' ' 83' ' ' HIS . 53.9 t -139.99 134.79 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.75 145.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.41 136.98 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.08 131.37 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -112.45 152.86 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -133.29 126.07 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.46 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.11 -42.92 34.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -49.71 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.714 0.293 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -48.12 -30.45 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.5 mt -82.89 145.47 50.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.0 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -143.11 -178.63 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -56.39 121.2 41.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -176.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -124.85 113.34 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.404 HG12 ' CG1' ' A' ' 80' ' ' VAL . 3.8 mp -92.11 116.9 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -143.99 124.45 13.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 64.1 m95 -100.68 127.46 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -117.17 140.85 49.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' LYS . 69.8 tttt -104.79 109.61 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.07 -91.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' LYS . 7.9 ttmt -51.76 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.83 22.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.92 173.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -139.24 127.91 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.9 mt -99.43 169.63 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 67' ' ' PHE . . . 128.75 142.92 5.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -167.97 149.33 5.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -112.64 -40.16 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.5 p -57.77 -48.81 78.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.2 125.41 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.75 160.82 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -37.82 -38.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -80.03 96.47 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 m -107.63 123.07 47.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 37.5 m-85 -108.32 125.91 52.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.415 ' HA ' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -114.04 110.08 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -114.8 118.72 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -121.64 109.18 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 3.5 p80 -89.04 127.82 35.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -85.9 155.16 21.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.4 p -95.55 -45.36 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.58 -67.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -66.05 -29.25 69.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.8 t30 65.62 37.7 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.62 141.84 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.23 124.13 42.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.2 m -107.15 107.3 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.426 ' C ' ' OE1' ' A' ' 81' ' ' GLU . 30.1 m -108.79 137.65 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.1 mp0 -137.03 130.02 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD12 ' CE2' ' A' ' 67' ' ' PHE . 17.4 tp -99.42 119.99 38.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.444 ' CE1' HG21 ' A' ' 31' ' ' VAL . 11.0 m170 -117.83 133.25 56.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.3 mt -130.69 126.16 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.45 155.92 21.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp 51.36 43.86 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -44.83 142.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.18 158.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' N ' HD23 ' A' ' 89' ' ' LEU . 3.0 mm? -50.03 -33.48 18.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.79 -24.78 75.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -27.74 62.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -66.37 139.53 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.71 -112.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -151.91 155.06 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.934 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.515 ' O ' ' CZ ' ' A' ' 94' ' ' TYR . 47.6 m-85 -133.08 171.93 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -140.09 132.01 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.0 tp -109.19 114.48 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -93.27 136.37 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.3 t -143.31 116.4 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -143.31 130.31 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.47 -75.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -127.88 -74.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.3 -19.96 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 105' ' ' CYS . 87.1 m -85.5 136.47 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 104' ' ' THR . 21.6 p -135.44 117.81 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -141.45 143.28 33.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.1 p -149.66 141.76 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.8 m -133.07 140.78 47.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -116.45 153.01 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.1 p90 -125.61 179.27 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -131.16 128.26 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' ASP . 44.3 mt -116.88 148.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.463 ' N ' HG21 ' A' ' 112' ' ' ILE . 4.9 t70 -128.37 140.26 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.7 t -123.31 96.05 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.25 131.62 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.45 151.15 52.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 161.92 44.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.374 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -89.11 -50.57 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -135.96 127.8 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.47 -71.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -131.75 132.45 43.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -124.22 92.49 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.18 123.47 0.8 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.25 132.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -91.08 136.75 32.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -121.42 143.69 38.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 125.35 12.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.3 m -96.83 -45.56 6.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.15 -175.51 36.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.0 t -54.56 -40.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -71.12 87.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.38 -43.52 64.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -133.01 131.22 40.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -101.74 143.36 26.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -94.39 137.61 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 t -43.2 145.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.9 m -139.66 121.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 117.08 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 m -117.73 168.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -96.7 135.43 38.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.4 m -46.19 133.13 9.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.7 -14.11 65.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -89.57 -175.41 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -112.48 120.71 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.69 153.91 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 83' ' ' HIS . 91.1 t -144.11 135.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.7 t -128.5 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -110.05 135.52 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.02 124.79 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -107.71 154.32 21.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.457 ' CG1' HD11 ' A' ' 41' ' ' LEU . 84.4 t -133.22 127.3 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.418 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 16.9 t-20 -71.57 117.48 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.28 -48.97 7.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -49.31 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -42.14 -46.83 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD11 ' CG1' ' A' ' 36' ' ' VAL . 13.8 mt -65.14 147.18 98.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.72 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -139.59 -177.82 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -50.8 114.8 5.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.6 m -128.83 112.75 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mp -89.22 134.68 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -149.51 122.99 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CE3' HD23 ' A' ' 82' ' ' LEU . 66.5 m95 -99.9 129.75 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.16 157.31 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' GLY . 50.0 tttt -118.65 112.69 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.65 -100.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.34 48.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.44 174.26 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.6 126.13 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.469 HD23 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -96.2 178.72 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . 34.33 84.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -107.67 41.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 49.67 41.64 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.8 p -114.13 -50.65 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.41 56.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -103.83 156.34 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' ALA . 25.4 ptt180 -34.49 -40.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' HD23 ' A' ' 57' ' ' LEU . 35.4 m-85 -54.46 105.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.8 m -105.55 161.2 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 25.8 m-85 -141.07 120.81 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -112.22 110.84 21.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -119.78 126.58 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.0 p -122.82 118.27 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.16 122.68 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.8 146.45 23.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 m -87.3 -45.45 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.53 -48.08 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -71.55 -42.67 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.3 t30 69.92 42.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.6 p -126.57 139.55 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.59 100.42 11.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.9 m -87.14 108.18 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 18.7 m -106.65 140.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -136.98 122.61 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 HD23 ' CE3' ' A' ' 49' ' ' TRP . 34.0 tp -93.12 119.84 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.553 ' CE1' HG12 ' A' ' 31' ' ' VAL . 12.2 m170 -115.59 128.92 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 mt -117.33 107.97 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.83 143.4 21.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 61.9 50.79 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.7 m -57.17 150.79 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.1 m -138.16 162.93 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.98 -35.39 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.59 -23.62 67.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.45 ' OD1' ' NZ ' ' A' ' 51' ' ' LYS . 71.8 m-20 -77.02 -56.22 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 114' ' ' VAL . 3.5 ptt85 -36.54 137.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.76 -106.68 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -153.53 158.96 42.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.382 . . . . 0.0 110.926 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.563 ' CE1' HD11 ' A' ' 112' ' ' ILE . 84.6 m-85 -141.55 177.2 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -142.61 143.77 32.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.3 tp -122.12 108.55 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.86 134.99 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.6 t -139.44 127.62 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -150.98 127.58 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.46 -74.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -125.86 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -117.46 -30.12 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.472 HG21 ' N ' ' A' ' 105' ' ' CYS . 95.0 m -71.63 140.37 49.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.472 ' N ' HG21 ' A' ' 104' ' ' THR . 25.9 p -137.88 113.22 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -138.22 141.86 39.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -143.69 143.84 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 1.9 t -118.53 159.79 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.03 128.21 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 10.4 p90 -120.07 175.95 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -137.74 125.48 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.563 HD11 ' CE1' ' A' ' 95' ' ' TYR . 67.6 mt -110.77 148.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 112' ' ' ILE . 0.5 OUTLIER -122.71 147.96 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 47.7 t -129.47 94.79 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.37 123.68 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -49.25 161.17 0.47 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.48 12.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.37 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p 45.57 42.18 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -147.87 167.17 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.2 109.51 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -116.95 145.66 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -101.57 86.24 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.03 -114.85 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.65 156.49 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -122.44 141.9 51.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -151.78 131.81 7.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.98 61.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -76.78 -35.8 57.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 167.73 43.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -88.07 -50.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -65.12 88.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.13 -37.34 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.459 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 8.8 tmtm? -129.56 128.62 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.459 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 30.3 mttt -99.71 141.05 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.24 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.94 140.29 47.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.7 p -53.77 133.49 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 m -119.75 127.26 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 p -93.17 125.72 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 m -134.86 168.23 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -111.09 143.27 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 m -43.65 141.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.38 -8.88 62.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -91.47 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 121.35 36.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 155.59 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -147.86 124.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -117.98 132.31 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -113.4 136.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.42 157.77 43.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.416 ' N ' ' HB3' ' A' ' 17' ' ' LYS . 33.3 mmtt -125.37 154.99 41.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 35' ' ' LYS . 67.2 t -139.92 119.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.53 116.01 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.18 -36.67 30.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -52.21 -66.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -41.15 -41.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 104' ' ' THR . 9.7 mt -75.59 145.16 78.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.83 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.46 179.92 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -54.87 121.48 35.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 178.26 4.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' LYS . 99.1 m -111.72 112.81 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.0 mm -88.93 120.21 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' NZ ' HG23 ' A' ' 46' ' ' THR . 18.3 mtmm -149.3 129.82 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.643 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 86.0 m95 -104.7 117.31 33.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.8 143.24 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.1 tttm -97.02 107.4 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.06 -93.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.5 ttmm -51.68 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -76.24 47.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt -106.83 138.16 43.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -105.55 153.08 22.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 15.3 mt -115.63 172.06 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.61 -45.39 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -66.55 78.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -173.25 146.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m -66.43 -58.84 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.09 124.23 5.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.35 144.0 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -14.28 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -72.56 111.22 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -118.09 157.8 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.643 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 5.1 m-85 -146.62 136.97 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.77 109.89 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -104.55 138.78 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -130.9 118.52 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.5 122.17 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.26 140.36 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.3 p -79.71 -41.41 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.68 -58.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.7 m -59.65 -39.55 84.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.97 33.88 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.67 148.12 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.31 112.15 25.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 m -88.35 102.76 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 33.5 m -111.67 128.76 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.53 167.86 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 HD22 ' CE3' ' A' ' 49' ' ' TRP . 36.2 tp -135.11 110.67 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -104.45 125.23 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -122.87 105.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.09 150.6 22.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 mttt 55.37 52.5 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 m -62.29 148.76 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.5 m -132.67 169.98 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.77 -34.51 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.2 -22.71 72.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.92 58.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -59.6 136.27 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' ASN . . . 153.17 -119.25 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.34 151.38 37.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 68.5 m-85 -130.79 165.79 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -132.26 131.43 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.0 tp -109.18 113.31 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -91.73 137.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.5 t -146.93 111.66 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.0 OUTLIER -142.76 156.24 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' N ' ' HD2' ' A' ' 100' ' ' LYS . . . -130.84 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -124.4 -74.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.41 -15.08 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.456 HG23 ' CD2' ' A' ' 41' ' ' LEU . 99.3 m -94.87 123.65 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 t -131.31 109.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.59 145.51 51.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.2 p -142.76 145.38 33.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 4.1 t -128.72 135.9 49.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.27 141.81 17.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.0 p90 -121.81 -178.03 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t-20 -137.06 139.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.517 HD12 ' CE1' ' A' ' 95' ' ' TYR . 66.8 mt -128.2 147.83 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -125.14 139.69 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.9 t -122.47 95.53 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.81 130.62 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.61 149.34 98.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 160.13 50.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 3' ' ' SER . 65.7 m -112.06 83.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 2' ' ' SER . 53.5 p 34.71 42.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.26 141.98 4.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -124.28 147.45 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -160.76 160.68 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.74 -145.57 17.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.13 141.89 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -170.67 112.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 152.65 12.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.9 3.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.455 HG22 ' N ' ' A' ' 13' ' ' GLY . 9.8 t -127.17 -44.71 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.455 ' N ' HG22 ' A' ' 12' ' ' THR . . . 168.36 176.42 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.2 t -71.85 -46.05 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.477 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.4 m-85 -69.23 91.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.0 -33.47 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.01 128.65 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -96.73 146.34 31.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.04 138.36 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -48.62 146.79 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.71 119.36 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -87.29 122.74 31.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 m -123.56 167.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -104.64 136.91 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.4 m -44.73 132.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 -13.08 68.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt -89.69 -175.74 4.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.48 122.94 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.05 156.47 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG11 ' N ' ' A' ' 32' ' ' VAL . 89.8 t -147.17 138.42 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.436 ' N ' HG11 ' A' ' 31' ' ' VAL . 93.3 t -133.08 137.49 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.59 138.62 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.41 135.85 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -117.07 154.25 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.28 119.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.417 ' CG ' ' HG3' ' A' ' 40' ' ' GLU . 9.5 t-20 -71.73 109.2 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.54 -32.44 64.6 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.11 -53.89 52.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HG3' ' CG ' ' A' ' 37' ' ' ASN . 10.9 mt-10 -51.31 -39.14 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD23 ' CG2' ' A' ' 104' ' ' THR . 6.6 mt -79.7 141.71 56.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.52 2.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.29 176.42 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.02 121.71 57.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -172.17 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -132.14 119.26 20.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.482 ' N ' HD13 ' A' ' 47' ' ' ILE . 4.7 mp -101.67 107.06 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -135.87 124.26 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 72.1 m95 -92.23 135.62 33.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -126.98 149.58 49.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 32.0 ttmt -117.4 99.86 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.32 -89.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -51.64 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -82.21 39.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.3 mt -87.67 131.04 34.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.4 116.87 32.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.98 161.32 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.562 ' HA2' ' CE2' ' A' ' 67' ' ' PHE . . . 113.02 78.19 0.85 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -153.69 157.12 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 42.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -70.13 -43.07 71.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.15 42.22 0.78 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' PHE . . . -116.93 154.78 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.13 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ALA . 64.6 m-85 -55.13 108.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -116.36 159.37 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.562 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 12.2 m-85 -148.58 121.61 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.66 133.17 56.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.502 ' CD ' ' C ' ' A' ' 69' ' ' GLU . 1.3 tm-20 -140.15 121.54 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.8 p -120.16 126.88 51.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.7 p80 -106.98 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -86.42 154.64 21.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 m -91.85 -54.69 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -50.84 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -56.79 -43.59 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 70.47 35.43 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.7 p -125.27 144.61 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -104.11 125.57 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.3 m -109.87 109.38 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.52 144.91 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -146.0 137.22 24.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 31.5 tp -105.19 123.76 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' NE2' HG12 ' A' ' 31' ' ' VAL . 12.5 m-70 -117.69 121.23 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 31.5 mt -120.99 106.32 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.76 147.14 20.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt 66.21 39.12 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.0 m -49.8 160.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.9 m -149.23 166.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.09 -39.21 63.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.12 -21.42 61.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.41 -50.61 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -39.21 139.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.48 -117.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -153.03 144.74 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 54.0 m-85 -120.21 173.8 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -147.94 129.27 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 47.6 tp -101.25 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -91.8 126.36 36.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.69 111.65 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -124.4 152.91 42.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -145.65 178.02 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' ALA . 26.9 mmtt -37.63 -68.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.6 26.28 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.445 ' CG2' HD23 ' A' ' 41' ' ' LEU . 85.1 m -135.78 110.31 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.19 120.2 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -149.98 149.74 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -148.63 142.02 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 74.2 m -138.26 136.64 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.21 162.09 12.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.8 OUTLIER -128.51 -175.0 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -138.29 137.78 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.489 HD12 ' CE1' ' A' ' 95' ' ' TYR . 53.5 mt -131.08 151.54 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -130.7 138.71 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.0 t -117.19 98.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.58 126.57 35.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.08 157.87 59.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 167.6 24.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -114.36 37.17 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -150.68 143.02 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.4 -48.9 0.54 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -116.59 99.31 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -141.65 147.08 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.15 63.61 2.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.87 100.04 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.63 93.1 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -119.79 156.17 54.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 123.26 9.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.3 t -50.0 -42.3 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 110.3 173.13 20.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.52 -45.15 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -71.81 98.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.72 -43.38 97.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -133.31 130.14 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -98.56 142.7 25.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 148.44 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.9 p -54.93 142.17 30.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.86 117.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -88.11 122.18 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.72 167.22 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.7 139.03 35.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.409 ' OG1' ' CG1' ' A' ' 114' ' ' VAL . 21.5 m -50.09 129.83 21.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.5 -13.3 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.7 mmtp -89.08 -175.01 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.37 120.55 42.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.65 154.52 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.46 139.44 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -138.1 132.33 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 34' ' ' ALA . 86.2 t -108.65 141.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 33' ' ' VAL . . . -158.15 128.59 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -104.32 154.74 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -137.51 121.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -72.77 113.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.95 -48.2 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.68 -61.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -46.64 -43.55 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.75 141.33 87.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.73 7.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -143.84 -177.28 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -57.23 118.81 26.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.87 32.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.426 ' CG2' ' HE3' ' A' ' 48' ' ' LYS . 86.3 m -101.28 113.23 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.7 mm -90.72 110.9 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.426 ' HE3' ' CG2' ' A' ' 46' ' ' THR . 70.0 mttt -141.09 125.42 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -95.25 146.06 24.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -142.82 158.38 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LYS . 21.2 ttmt -122.95 100.96 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.36 -93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.1 ttmt -50.18 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -81.67 39.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 mt -83.27 164.53 20.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.92 114.73 14.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.17 -179.81 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.14 86.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -92.14 -56.65 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -135.74 156.9 48.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 t -55.6 -49.71 72.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.58 76.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -148.46 153.7 38.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ALA . 6.7 ptm180 -34.36 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 41.5 m-85 -74.41 104.81 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -112.07 123.0 49.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -110.6 118.2 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -111.5 133.71 53.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -133.97 123.97 25.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -132.17 116.26 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -101.86 135.85 42.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.4 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -74.29 -54.9 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.97 -53.21 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -45.01 95.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 72.49 42.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.26 141.4 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -102.18 111.84 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.1 m -93.81 96.5 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 32.2 m -100.82 134.21 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -132.94 132.75 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -105.15 119.83 40.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.93 121.64 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -112.7 107.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.21 142.38 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 64' ' ' ARG . 82.3 mttt 62.83 49.53 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.6 m -57.4 156.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.1 m -146.31 161.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD13 ' CD ' ' A' ' 92' ' ' ARG . 3.9 mm? -48.31 -36.68 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.07 -29.71 59.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 92' ' ' ARG . 2.1 m-20 -76.64 -53.23 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.444 ' CD ' HD13 ' A' ' 89' ' ' LEU . 3.8 ptt-85 -35.32 136.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 25.8 m-85 -114.21 177.41 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -150.9 136.11 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 44.2 tp -111.68 119.1 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -95.43 137.93 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.5 t -143.41 132.13 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -162.27 126.04 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.76 -74.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -122.83 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.87 -32.69 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.4 m -67.63 141.35 56.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 p -138.49 118.41 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -141.96 132.9 25.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.5 p -139.05 138.65 37.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.64 162.39 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -139.3 125.78 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 3.8 p90 -115.91 179.84 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -139.19 140.24 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.456 HG22 ' N ' ' A' ' 113' ' ' ASP . 57.7 mt -129.7 143.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.456 ' N ' HG22 ' A' ' 112' ' ' ILE . 7.2 m-20 -123.23 126.05 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.409 ' CG1' ' OG1' ' A' ' 26' ' ' THR . 82.5 t -101.9 93.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.6 119.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.47 157.02 38.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 111.08 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 179.09 3.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.3 ttp85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -150.45 172.16 15.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -137.78 121.79 17.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.18 137.02 2.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 m -142.81 117.79 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.816 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -141.68 137.87 32.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.44 -124.44 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.28 36.74 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -98.38 167.97 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.95 125.25 24.19 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.48 5.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.0 m -86.75 38.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.18 -171.33 25.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.0 m -76.96 -25.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.431 ' CD2' ' SG ' ' A' ' 108' ' ' CYS . 4.5 m-85 -80.37 92.09 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.87 -34.36 62.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 1.2 tmtp? -145.42 128.82 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -102.97 145.63 30.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -92.21 133.68 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 t -38.09 146.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.8 m -138.27 119.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 p -88.15 113.6 23.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 m -117.1 165.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.4 144.35 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.0 m -52.58 131.2 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.45 13.15 63.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mmmt -112.8 -175.85 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -116.1 120.83 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 151.44 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 83' ' ' HIS . 75.9 t -141.03 127.66 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 92.2 t -119.31 148.81 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 34' ' ' ALA . 69.9 t -126.86 142.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' N ' HG13 ' A' ' 33' ' ' VAL . . . -164.19 142.07 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -113.55 156.88 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.75 118.62 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -72.19 101.27 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -68.79 -46.89 58.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -39.88 -58.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.96 -41.73 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -69.03 140.61 91.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.432 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -26.7 27.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -155.68 179.39 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -53.76 117.88 13.6 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 171.82 13.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -116.91 113.28 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.463 HD11 ' N ' ' A' ' 47' ' ' ILE . 4.7 mp -93.98 126.54 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -145.76 123.18 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CE3' HD23 ' A' ' 82' ' ' LEU . 89.6 m95 -93.17 123.75 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.54 151.4 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 49.9 tttt -117.88 104.14 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.9 -92.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 15.8 ttpp -47.83 175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.3 p-90 -76.03 48.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -97.38 141.95 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -112.91 98.48 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.36 162.82 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 84.72 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -159.07 116.88 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -83.48 37.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -91.46 41.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.48 53.63 31.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.546 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.14 142.69 47.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.4 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -51.16 -29.71 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 48.4 m-85 -59.59 107.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -126.19 157.9 36.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -138.57 140.16 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -130.9 113.79 14.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -112.61 132.59 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -125.96 101.88 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.2 p80 -90.28 121.58 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.41 152.36 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 t -88.61 -42.92 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -55.88 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -67.81 -34.74 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.71 46.97 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.22 138.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.87 102.17 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.4 m -86.32 106.97 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.2 m -103.13 139.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.11 126.28 29.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD23 ' CE3' ' A' ' 49' ' ' TRP . 22.8 tp -96.73 112.34 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 31' ' ' VAL . 12.3 m-70 -106.27 124.5 49.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.1 120.73 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.99 153.13 19.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mttp 57.94 49.89 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 m -65.33 136.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.8 m -128.44 168.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.97 -29.48 43.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.2 -19.35 73.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' ARG . 5.0 m-20 -83.32 -54.51 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.0 ptt85 -36.33 141.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.83 -109.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -155.19 146.31 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.891 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 72.3 m-85 -126.25 177.21 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -152.77 141.99 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 45.2 tp -115.68 121.8 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -102.48 133.09 48.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -139.18 135.9 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -164.81 125.71 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.15 -70.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 30.4 mmtt -131.58 -64.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.56 -32.0 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 105' ' ' CYS . 99.0 m -71.38 140.39 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.433 ' N ' HG22 ' A' ' 104' ' ' THR . 24.7 p -137.13 113.3 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -135.52 144.75 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -148.34 143.55 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.431 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 68.3 m -134.3 138.0 44.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.61 151.93 17.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -127.37 -175.37 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.94 130.52 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.442 HD12 ' CE1' ' A' ' 95' ' ' TYR . 77.0 mt -121.74 140.72 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.73 128.37 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.5 t -104.98 90.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.15 130.19 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.68 153.87 85.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 173.76 10.55 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -62.6 151.54 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -51.7 -47.37 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.16 -162.41 34.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -53.74 -45.69 70.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -62.53 153.45 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.18 -65.53 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.04 148.25 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -69.92 120.74 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.2 151.09 83.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.91 22.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -90.21 -35.96 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.22 163.74 6.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -55.51 -50.72 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.117 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.527 ' CD2' ' SG ' ' A' ' 108' ' ' CYS . 4.1 m-85 -66.18 95.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.28 -42.25 81.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -134.86 128.72 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -100.0 143.26 26.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 133.21 24.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.371 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.15 150.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -53.54 145.86 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 34.3 m -144.45 117.2 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 113' ' ' ASP . 52.1 m -96.17 107.98 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.3 168.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.12 137.01 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -44.95 134.06 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.32 -13.65 67.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.26 179.8 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.81 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 149.44 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.1 137.48 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.0 t -133.8 125.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.6 138.3 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.69 126.64 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -105.36 153.25 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.62 119.26 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 42.4 t-20 -71.48 105.57 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.31 47.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -47.32 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 49.9 mm-40 -45.76 -44.38 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.5 mt -68.08 146.1 97.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.476 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -44.67 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -140.08 176.28 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -49.6 116.23 5.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 161.98 43.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 m -108.52 112.58 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.7 mp -90.51 130.14 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 26.9 mttm -152.58 125.65 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -96.98 131.78 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 48' ' ' LYS . 6.7 m-85 -130.71 150.25 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' LYS . 16.7 ttmt -103.27 89.04 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.83 -86.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.8 mtmt -51.11 -176.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.02 38.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -91.82 160.21 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -127.53 106.33 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.7 mt -49.7 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' SER . . . 44.32 -93.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' GLY . 96.0 p 33.5 42.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -85.43 41.02 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.5 m -119.11 39.29 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.26 43.48 5.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' PHE . . . -118.49 150.23 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.454 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -34.96 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ALA . 38.0 m-85 -69.73 104.93 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -114.59 161.62 17.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -138.05 121.58 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -114.61 111.48 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -113.98 127.52 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -117.31 111.92 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -97.77 118.15 33.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' CB ' ' HB2' ' A' ' 75' ' ' SER . 82.3 m-20 -90.63 149.64 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 p -83.72 -62.05 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.03 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.442 ' HB2' ' CB ' ' A' ' 72' ' ' ASN . 58.8 m -71.19 -43.61 67.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t30 67.69 41.9 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.16 142.87 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -104.11 102.13 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 m -87.64 102.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.8 m -101.15 134.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -130.99 119.31 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 tp -88.66 123.41 33.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -119.49 116.61 26.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -113.25 103.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.25 149.32 27.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt 61.94 48.17 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.8 m -58.13 146.9 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.01 162.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.416 HD11 ' CD ' ' A' ' 92' ' ' ARG . 3.3 mm? -51.51 -39.19 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.3 -25.01 62.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.98 -50.48 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.416 ' CD ' HD11 ' A' ' 89' ' ' LEU . 0.6 OUTLIER -42.34 138.83 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.3 -105.5 0.27 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 3.0 t80 -151.05 155.56 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.563 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 90.0 m-85 -139.87 175.38 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -157.76 143.54 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.0 tp -117.76 115.57 25.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -91.54 133.2 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.1 t -141.46 122.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.89 135.65 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.03 -72.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 16.5 mmtp -124.41 -64.15 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -133.82 24.38 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.3 m -125.35 110.89 14.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.0 p -107.48 114.13 27.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.56 118.46 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -127.23 150.48 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . 0.527 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 90.2 m -136.02 131.29 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.89 147.8 17.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -129.21 -175.49 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -137.76 122.5 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.465 HD11 ' CD1' ' A' ' 95' ' ' TYR . 71.8 mt -113.2 146.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 23' ' ' SER . 2.1 t70 -123.36 141.94 51.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -122.78 90.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.79 115.95 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.37 150.89 5.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.57 27.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -84.59 164.59 18.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -154.74 167.01 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.32 -86.73 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 151.71 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.375 . . . . 0.0 110.826 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -65.17 -28.51 69.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.75 115.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.71 69.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.33 140.25 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.12 158.27 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 139.6 40.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -97.17 -44.71 6.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.24 140.55 46.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.6 m -68.38 -32.27 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -91.43 89.55 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.47 -33.41 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -146.46 129.23 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -103.2 151.21 38.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.71 102.46 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.05 137.56 40.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 p -44.6 130.67 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.24 123.72 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 p -95.16 108.09 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -112.67 167.56 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -106.88 147.1 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.8 m -55.03 129.99 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -1.91 68.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -101.13 -175.32 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.65 122.55 47.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.86 154.77 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.1 t -149.1 132.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.6 t -126.37 143.31 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.66 134.31 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.09 9.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -108.38 152.55 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -133.2 122.45 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.45 101.65 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -61.26 -50.7 64.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 48.6 mttt -40.09 -49.72 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -55.3 -37.3 67.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' GLY . 4.5 mt -84.7 142.27 39.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -36.67 10.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.22 170.79 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -46.24 116.33 3.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -179.62 3.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.439 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 53.9 m -119.23 112.93 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mp -95.26 124.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' HE2' ' CG2' ' A' ' 46' ' ' THR . 67.5 mttm -142.06 123.08 14.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.98 118.95 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -111.33 147.33 35.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' LYS . 38.9 tttt -111.34 95.32 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.3 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.9 ttmt -53.03 -174.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.48 30.2 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.12 169.48 17.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -130.88 123.47 29.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -93.75 165.44 12.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.1 -111.56 2.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -73.29 -49.05 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -78.33 117.6 19.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.9 m 62.03 53.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.38 116.86 0.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.23 -57.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -85.58 19.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 3.4 m-85 -110.59 123.29 49.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -121.76 124.34 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.2 m-85 -113.73 138.39 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -134.6 116.53 15.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -108.1 115.94 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -107.23 105.9 16.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.92 139.52 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -108.48 157.01 18.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.7 m -107.38 -23.5 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.85 -64.94 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -67.05 -13.73 62.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.428 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 m-20 50.89 43.98 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -122.12 145.74 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.5 109.77 21.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 107.26 18.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.44 127.41 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -122.3 149.13 44.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tp -123.0 112.12 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -104.89 137.74 42.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -131.39 108.92 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.48 155.24 29.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.9 mttt 51.97 53.64 12.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.0 m -68.07 135.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.7 m -126.69 166.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -34.75 64.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.67 -8.0 59.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -94.28 -36.78 11.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ptt-85 -53.54 134.13 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.29 -130.27 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 2.3 t80 -132.52 137.79 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 110' ' ' PHE . 89.1 m-85 -116.85 154.45 30.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.85 137.37 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.454 ' N ' ' HD2' ' A' ' 96' ' ' ARG . 32.6 tp -119.38 125.01 47.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -105.7 138.89 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 75.5 t -143.0 110.07 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -141.67 129.79 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -125.21 -74.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.87 -16.96 14.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 80.2 m -85.93 129.22 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.3 p -127.38 117.49 22.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.87 138.9 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -143.24 147.13 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.68 124.8 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.82 174.23 19.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 95' ' ' TYR . 1.0 OUTLIER -146.68 -176.91 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.519 ' N ' ' ND2' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -139.39 133.06 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 113' ' ' ASP . 5.2 mt -115.44 150.29 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . 0.471 ' N ' HG22 ' A' ' 112' ' ' ILE . 1.2 m-20 -128.66 126.19 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 23.9 t -107.91 95.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.13 126.51 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.72 153.42 93.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.64 6.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG13 ' HD1' ' A' ' 15' ' ' PHE . 2.1 p -66.27 -39.21 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.614 ' HE2' HD23 ' A' ' 97' ' ' LEU . 4.1 m-85 -73.4 87.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.36 -31.83 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 5.4 tmtt? -136.83 128.94 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 84.9 mttt -102.55 143.35 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.38 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.76 133.22 49.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.3 m -45.9 127.26 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.0 m -113.35 123.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -95.12 109.97 21.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.9 m -113.73 168.07 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.49 143.99 32.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.4 m -48.58 137.24 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.06 84.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.818 ' O ' HG22 ' A' ' 87' ' ' VAL . 72.5 mmtt -95.37 -179.94 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.71 120.82 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.93 155.18 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -150.95 127.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.77 145.22 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -123.37 131.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.0 151.99 29.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -129.16 162.43 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -141.16 124.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -75.51 102.88 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -42.8 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -46.64 -52.55 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -57.82 -32.29 67.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.6 mt -83.52 142.63 43.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.0 Cg_endo -69.68 -45.32 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -128.78 177.11 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -59.72 121.88 61.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.476 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.7 159.77 52.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.36 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 48' ' ' LYS . 97.7 m -108.57 113.21 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.9 HG12 HG11 ' A' ' 80' ' ' VAL . 2.9 mp -91.69 118.11 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG3' HG22 ' A' ' 46' ' ' THR . 43.2 mtmt -138.4 126.6 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -98.85 124.76 43.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -118.8 158.38 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' GLY . 47.1 tttt -121.44 120.1 33.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.68 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 5.2 ptpp? -57.5 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -76.11 46.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CG ' ' A' ' 53' ' ' LYS . 9.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -73.56 110.92 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -114.18 152.79 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -133.91 128.21 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -121.27 108.32 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.3 122.01 38.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -124.32 134.19 53.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.1 p80 -110.12 125.15 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -83.71 150.72 25.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.4 p -86.14 -44.34 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.34 -50.42 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -63.8 -48.13 78.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 74.67 34.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.32 133.65 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -92.48 108.22 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 m -94.27 108.42 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.9 HG11 HG12 ' A' ' 47' ' ' ILE . 25.8 m -109.72 140.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -137.66 129.05 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 tp -99.03 116.06 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.46 132.34 54.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.8 mt -127.11 128.71 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.55 16.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 58.82 49.3 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.9 m -61.82 147.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.584 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -136.22 163.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.669 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -56.29 -25.74 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.91 -11.49 83.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.02 -36.11 11.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 89' ' ' LEU . 4.3 ptt-85 -53.36 149.52 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.91 -112.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -148.56 150.47 33.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.668 ' CE1' HD12 ' A' ' 112' ' ' ILE . 87.9 m-85 -130.53 178.77 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -153.2 128.73 9.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD23 ' HE2' ' A' ' 15' ' ' PHE . 37.1 tp -105.9 113.77 27.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -92.11 138.43 31.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.1 t -148.78 109.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -121.88 149.26 43.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -133.27 -174.81 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 10.7 tptp -33.64 -58.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -131.27 -31.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.6 m -71.59 139.92 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 28.9 p -140.34 127.73 21.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.77 148.91 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.8 p -149.81 138.13 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.9 t -112.04 155.68 23.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.43 133.15 8.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.3 p90 -127.11 165.78 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -134.55 131.98 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.668 HD12 ' CE1' ' A' ' 95' ' ' TYR . 61.4 mt -111.77 151.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.75 140.23 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 92' ' ' ARG . 97.9 t -119.6 93.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.44 130.33 42.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.137 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.548 HG11 HD21 ' A' ' 41' ' ' LEU . 94.4 t -67.54 -39.94 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.6 m-85 -77.02 92.18 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.81 -30.76 64.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -151.28 128.75 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -93.58 148.56 35.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.7 . . . . 0.0 110.939 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.62 4.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -84.63 138.63 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 p -50.06 133.26 23.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 31.0 m -119.59 120.99 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -85.34 113.32 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 30' ' ' ALA . 1.9 m -118.05 163.2 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -108.27 137.34 46.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.2 m -43.63 135.2 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.27 1.03 82.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.809 ' O ' HG22 ' A' ' 87' ' ' VAL . 48.0 mmtt -105.48 -177.56 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.5 121.52 44.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -89.27 147.85 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.06 129.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.55 147.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.73 135.89 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.16 132.69 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.37 156.85 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -141.28 123.2 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.61 121.92 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.04 -34.16 15.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -55.79 -58.46 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -51.8 -41.24 61.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD21 HG11 ' A' ' 14' ' ' VAL . 60.4 mt -70.49 143.62 90.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -45.25 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 9.7 t0 -135.69 -176.57 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -60.77 123.41 74.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.9 Cg_endo -69.8 162.77 40.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -104.45 112.83 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -85.87 119.08 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -151.22 125.27 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' PHE . 82.1 m95 -99.59 136.48 39.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.98 162.79 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.5 tttt -118.43 114.58 23.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.16 -92.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.4 ttpt -54.96 176.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.64 48.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -80.2 121.82 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -138.32 159.84 41.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD1' ' CD1' ' A' ' 49' ' ' TRP . 3.1 m-85 -144.26 117.61 9.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -108.69 128.26 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -117.87 135.16 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -112.76 102.54 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.86 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -96.85 156.33 16.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -100.24 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.7 -74.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -59.78 -25.2 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 61.4 42.98 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.91 150.17 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -110.58 113.48 26.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.6 m -103.69 110.47 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 m -109.69 139.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -132.47 135.35 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 84' ' ' ILE . 27.9 tp -98.14 120.62 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -112.66 122.02 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.505 HD11 HD21 ' A' ' 82' ' ' LEU . 65.4 mt -125.07 102.69 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 152.06 30.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.0 mttp 53.48 53.01 12.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.2 m -61.07 165.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.5 m -150.7 165.02 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' CD ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -54.37 -28.19 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.34 -21.68 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -79.61 -34.44 40.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CD ' HD13 ' A' ' 89' ' ' LEU . 3.7 ptt-85 -58.2 147.72 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.26 -112.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 2.7 t80 -150.16 146.14 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.474 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 81.1 m-85 -128.1 170.31 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -138.29 130.94 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 tp -109.52 121.86 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -98.94 141.8 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 45' ' ' PRO . 98.7 t -146.85 111.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -138.94 130.78 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -101.97 -75.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -121.31 -70.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.34 -19.6 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.8 m -81.83 128.32 33.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 22.8 p -119.64 120.05 35.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.5 OUTLIER -137.95 134.37 34.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.2 p -139.39 154.41 47.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m -152.4 135.96 16.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 169.16 13.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.0 p90 -144.73 166.99 23.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.28 136.8 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.65 147.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.48 128.02 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 92' ' ' ARG . 46.8 t -113.97 92.54 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.35 126.3 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.083 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' HD1' ' A' ' 15' ' ' PHE . 1.8 p -55.29 -40.36 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' HD1' HG13 ' A' ' 14' ' ' VAL . 4.1 m-85 -70.19 97.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.76 -33.26 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -149.6 128.85 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -92.89 152.92 41.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.516 0.674 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 102.14 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.73 142.61 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -55.59 142.87 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 m -130.89 125.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -92.1 118.33 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 87' ' ' VAL . 1.7 m -120.91 167.4 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -114.12 137.59 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.513 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -40.24 125.27 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.32 -3.05 63.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.91 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.1 mmmt -98.88 175.7 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.36 120.95 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 153.86 23.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.5 t -143.42 132.42 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.15 116.0 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 151.52 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.82 124.65 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -98.53 143.38 29.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -131.38 123.25 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.79 111.37 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.51 -45.05 30.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -49.08 -47.55 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.77 -40.26 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD23 HG21 ' A' ' 104' ' ' THR . 8.1 mt -79.73 141.51 55.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.76 3.12 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.53 -178.29 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -66.55 124.13 87.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.74 164.65 33.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -102.74 113.24 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 80' ' ' VAL . 20.3 mm -88.99 115.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 97' ' ' LEU . 40.3 mttp -141.66 123.92 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CE3' HD22 ' A' ' 82' ' ' LEU . 96.6 m95 -100.32 117.68 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CG ' ' HA ' ' A' ' 54' ' ' TRP . 60.5 m-85 -110.04 145.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.795 ' O ' HD12 ' A' ' 55' ' ' LEU . 19.0 ttmt -111.75 88.93 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.74 -92.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -99.7 87.55 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' LYS . 45.8 p-90 31.64 38.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 51' ' ' LYS . 7.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.58 106.35 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -115.7 144.53 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -125.47 120.89 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -112.15 112.86 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -120.61 121.04 37.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -125.33 121.57 34.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -97.94 133.8 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.74 151.97 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -96.25 -27.01 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.29 -68.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.27 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 67.9 45.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -120.96 137.53 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -92.89 106.2 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.4 m -88.68 103.19 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 47' ' ' ILE . 34.4 m -109.68 131.51 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -126.01 155.9 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.614 HD22 ' CE3' ' A' ' 49' ' ' TRP . 13.7 tp -129.51 102.56 6.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -99.42 133.59 43.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -129.28 101.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.41 151.5 29.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 59.02 54.06 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.0 m -67.39 153.96 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.513 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.6 m -138.99 165.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.413 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.8 OUTLIER -57.16 -23.17 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -7.62 88.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -96.79 -31.98 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.413 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.2 ptt85 -57.53 145.85 32.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.49 -117.13 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 2.1 t80 -150.92 140.75 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.674 ' CE1' HD12 ' A' ' 112' ' ' ILE . 36.1 m-85 -116.58 -175.2 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -161.25 128.76 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' LYS . 50.4 tp -101.42 116.99 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.59 124.42 41.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 45' ' ' PRO . 67.0 t -139.82 114.72 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -126.56 143.54 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 100' ' ' LYS . . . -127.95 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -39.77 -68.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -128.16 24.87 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.471 HG21 HD23 ' A' ' 41' ' ' LEU . 98.3 m -138.03 116.53 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.2 t -125.77 131.84 52.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.66 138.87 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.9 p -136.88 151.02 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.8 t -138.8 136.14 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.25 150.38 18.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -129.29 -175.16 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -133.89 142.89 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.674 HD12 ' CE1' ' A' ' 95' ' ' TYR . 12.5 mt -130.32 137.63 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 135.38 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -118.49 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.27 135.42 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.137 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 41' ' ' LEU . 96.2 t -93.48 -49.75 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.99 99.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.14 -41.46 92.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -139.12 128.78 24.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -94.27 151.36 39.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.79 155.52 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -69.52 129.24 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 22' ' ' VAL . 7.1 m -122.86 123.55 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.65 113.16 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.666 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -108.71 168.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.66 137.97 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -42.69 131.23 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.25 1.34 78.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.87 ' O ' HG22 ' A' ' 87' ' ' VAL . 19.6 mmmt -102.96 177.63 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.51 120.66 42.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -84.68 154.48 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.74 130.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 110' ' ' PHE . 63.2 t -123.09 136.56 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.64 129.68 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.38 124.97 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -101.77 155.87 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 77' ' ' VAL . 96.0 t -140.36 129.19 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 36.4 t-20 -71.85 108.2 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.14 -47.25 31.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.85 -49.71 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 38.4 mm-40 -50.9 -44.01 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 14' ' ' VAL . 6.6 mt -72.36 143.33 85.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -28.4 25.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.292 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -150.14 -178.16 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -63.57 120.75 65.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.5 41.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -100.83 112.77 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.608 HD12 HG11 ' A' ' 80' ' ' VAL . 27.2 mm -85.33 114.7 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -140.09 133.19 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.439 ' CE3' HD22 ' A' ' 82' ' ' LEU . 92.9 m95 -110.76 144.81 39.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -138.4 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.4 ttmt -127.34 96.29 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.08 -76.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.554 ' HE3' HD11 ' A' ' 55' ' ' LEU . 2.2 pttt -92.95 -174.95 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' LEU . 1.7 p90 -40.91 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD11 ' HE3' ' A' ' 53' ' ' LYS . 14.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 91' ' ' ASP . 15.7 ptt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -76.63 104.9 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.8 m -115.9 137.77 51.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.5 m-30 -111.96 117.87 33.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -104.03 108.34 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.2 136.43 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -134.1 103.1 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -91.26 124.33 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.34 146.74 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 p -85.55 -39.64 17.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.53 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -59.97 -39.0 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 69.91 45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -124.02 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.16 110.59 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 m -98.37 100.1 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.608 HG11 HD12 ' A' ' 47' ' ' ILE . 32.6 m -101.93 137.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -132.58 138.0 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' CE3' ' A' ' 49' ' ' TRP . 25.3 tp -108.42 118.28 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -107.54 131.4 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.47 107.67 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.04 152.07 22.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt 55.55 47.64 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.87 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.1 m -55.1 150.4 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.14 159.97 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.46 -19.49 3.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.24 -21.45 54.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 64' ' ' ARG . 8.6 m-20 -80.28 -26.51 38.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.4 ptt85 -65.58 151.41 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.59 -110.86 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.4 t80 -150.45 143.56 24.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.661 ' CE1' HD12 ' A' ' 112' ' ' ILE . 49.3 m-85 -120.21 178.51 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -151.42 138.92 19.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.33 120.71 40.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -99.26 139.34 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -150.17 123.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -133.51 146.43 51.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 104' ' ' THR . . . -137.86 -176.45 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' ALA . 45.6 mttt -38.26 -71.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -125.0 29.01 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.493 HG21 HD23 ' A' ' 41' ' ' LEU . 87.7 m -143.56 123.45 13.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.67 129.49 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.99 153.79 37.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.3 p -140.83 152.79 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.8 t -146.23 136.78 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.1 163.34 13.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.61 ' HE2' HD11 ' A' ' 112' ' ' ILE . 7.4 p90 -140.43 179.81 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -130.48 137.83 49.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 95' ' ' TYR . 37.3 mt -123.96 144.14 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.7 129.08 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 92' ' ' ARG . 81.3 t -110.25 91.53 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.13 143.79 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.068 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 40' ' ' GLU . 21.7 t -75.55 -37.31 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.87 97.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.31 -32.27 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -148.71 129.28 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -101.22 146.22 31.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.65 14.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.1 m-20 -94.49 132.62 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -40.49 137.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 20' ' ' ASP . 27.8 m -132.44 126.16 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.34 115.26 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -115.01 168.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -101.07 153.07 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 88' ' ' VAL . 2.7 m -60.19 136.59 58.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.81 -0.96 86.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.64 ' O ' HG22 ' A' ' 87' ' ' VAL . 64.6 mmtt -100.47 -175.03 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.25 121.0 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.16 148.81 26.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' A' ' 83' ' ' HIS . 95.6 t -136.5 126.13 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.81 118.52 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.46 139.1 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.05 129.1 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.64 156.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -139.89 125.77 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -74.08 121.86 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -44.43 7.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -47.85 -55.71 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HG22 ' A' ' 14' ' ' VAL . 8.2 mm-40 -48.91 -42.45 37.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 45' ' ' PRO . 18.6 mt -72.5 140.38 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -44.45 2.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.679 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 11.2 t0 -127.55 -175.62 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -64.09 121.17 70.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.8 159.83 51.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 m -116.18 112.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.776 HG12 HG11 ' A' ' 80' ' ' VAL . 2.8 mp -85.89 134.15 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -158.26 126.92 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CE3' HD22 ' A' ' 82' ' ' LEU . 59.5 m95 -99.64 127.19 45.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.44 140.6 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -103.42 103.9 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.7 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.4 ttpt -52.46 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.33 48.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -80.34 113.07 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -119.44 150.66 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -140.13 120.87 14.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -113.9 109.0 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -116.3 128.04 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -128.44 100.07 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -83.88 133.18 34.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.9 149.44 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -99.02 -9.65 23.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.24 -48.9 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -91.07 0.46 57.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 37.71 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.0 141.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -109.18 103.05 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -88.33 108.15 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.776 HG11 HG12 ' A' ' 47' ' ' ILE . 21.2 m -111.35 140.98 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.3 mp0 -135.97 126.72 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -100.62 108.77 20.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -105.94 130.9 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 87' ' ' VAL . 46.9 mt -126.32 105.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.22 155.61 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt 56.02 42.61 28.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 28' ' ' LYS . 6.3 m -56.06 167.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.665 ' HA ' HG23 ' A' ' 26' ' ' THR . 33.0 m -152.71 170.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.429 HD22 HG12 ' A' ' 114' ' ' VAL . 0.6 OUTLIER -58.76 -42.12 88.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.02 -21.94 56.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -77.52 -49.13 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.5 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.6 ptt-85 -43.94 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.77 -108.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -148.92 153.07 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.678 ' CE1' HD12 ' A' ' 112' ' ' ILE . 89.2 m-85 -137.95 171.4 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -150.18 132.76 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.42 117.62 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -97.93 133.07 42.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.88 112.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -137.36 129.89 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -98.35 -75.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -123.49 -71.33 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -113.67 -16.28 12.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 93.4 m -92.36 127.55 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.36 109.22 12.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.82 138.47 54.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 p -141.25 154.09 45.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.4 p -118.69 160.62 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -133.12 120.18 2.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 95' ' ' TYR . 52.6 p90 -132.21 164.76 25.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -125.49 151.29 46.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.678 HD12 ' CE1' ' A' ' 95' ' ' TYR . 31.5 mt -126.04 149.48 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.12 128.76 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 88' ' ' VAL . 86.3 t -112.68 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.87 132.04 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.167 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.723 HG23 ' HD1' ' A' ' 15' ' ' PHE . 27.7 m -119.06 -20.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.723 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -87.88 95.19 10.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.27 -37.11 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -142.74 130.03 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -95.51 149.37 36.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' ' 22' ' ' VAL . 12.5 m-20 -74.69 139.63 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 138.44 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' VAL . 33.8 m -133.62 117.76 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -93.54 106.18 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -101.01 168.27 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -100.11 137.26 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.456 ' OG1' HG12 ' A' ' 114' ' ' VAL . 11.1 m -46.15 137.04 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -7.48 77.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.973 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.7 mmtt -94.66 -175.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.99 125.48 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 24' ' ' VAL . . . -91.6 153.45 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -148.86 127.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' VAL . 71.8 t -115.92 153.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 53.6 t -127.82 128.8 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.87 125.63 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -105.32 155.01 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.86 119.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -72.03 108.62 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -72.07 -40.41 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -49.73 -55.74 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.303 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -53.61 -39.25 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.1 mt -74.85 141.24 75.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -42.69 3.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.64 -178.9 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -63.06 119.19 49.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.57 65.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -103.44 113.06 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 2.5 mp -89.25 128.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 70.5 mttt -149.36 123.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -93.01 115.99 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 95.2 m-85 -113.14 151.49 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -96.22 167.12 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -40.85 -34.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -91.8 -174.81 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -83.18 36.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.0 111.45 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 m -127.37 138.64 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.7 m-85 -115.62 120.0 37.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HD2' ' NE2' ' A' ' 83' ' ' HIS . 63.6 mttt -106.77 112.36 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 6.7 tm-20 -117.83 129.54 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -130.28 101.24 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 4.4 t-80 -84.1 134.92 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -102.54 153.18 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 t -99.56 -7.47 25.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.59 -60.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -71.94 -12.5 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.44 48.15 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.58 133.8 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 71' ' ' HIS . 30.8 m-85 -97.86 101.03 12.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 m -84.98 113.83 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 26.8 m -115.32 138.58 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -133.96 141.94 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.81 120.62 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' NE2' ' HD2' ' A' ' 68' ' ' LYS . 9.5 m-70 -112.97 129.26 56.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 mt -124.89 105.27 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.17 146.56 21.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 60.75 40.92 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.7 m -51.49 148.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' HA ' HG23 ' A' ' 26' ' ' THR . 30.5 m -137.29 167.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.676 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.4 mm? -59.9 -30.97 69.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.34 -17.48 74.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.26 -39.76 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.676 ' CD ' HD13 ' A' ' 89' ' ' LEU . 2.8 ptt85 -51.67 142.94 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.44 -111.74 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 95' ' ' TYR . 10.3 t80 -146.57 155.01 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' A' ' 112' ' ' ILE . 88.4 m-85 -142.58 152.25 42.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -123.53 138.35 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 15' ' ' PHE . 53.4 tp -113.74 112.68 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -91.85 137.62 32.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.41 109.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.15 151.58 38.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -130.82 -174.63 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' ALA . 27.0 tttt -32.91 -59.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.77 -31.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.4 m -73.3 146.44 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.1 p -140.58 129.95 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.4 148.62 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.2 p -150.34 139.12 20.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.1 t -119.59 160.95 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -135.45 143.65 15.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -131.51 176.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.2 m-20 -136.17 139.17 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 95' ' ' TYR . 34.4 mt -120.83 143.08 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -124.54 131.5 53.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 85.0 t -112.69 94.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.1 131.61 46.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' HD1' ' A' ' 15' ' ' PHE . 26.8 m -104.82 -21.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.642 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.3 m-85 -89.0 86.42 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -46.44 -41.14 13.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -142.47 137.02 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -104.31 148.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.1 Cg_endo -69.79 101.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.516 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.21 137.65 45.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 p -47.5 134.08 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' VAL . 25.0 m -129.72 120.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -96.8 117.47 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 87' ' ' VAL . 1.4 m -115.94 168.36 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -94.19 149.58 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 88' ' ' VAL . 4.3 m -58.79 126.04 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.54 -7.31 61.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.4 mmmt -92.05 -175.78 4.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.92 122.17 46.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.8 21.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.0 t -149.17 125.09 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 33' ' ' VAL . 87.4 t -114.83 155.85 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 32' ' ' VAL . 69.7 t -132.54 135.05 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.72 126.59 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -99.48 151.09 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.35 110.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.77 110.25 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.22 -44.11 53.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -40.16 -52.69 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -57.34 -37.32 72.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 45' ' ' PRO . 38.0 mt -74.74 144.16 79.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.436 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.6 Cg_endo -69.73 -32.17 19.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -154.4 -178.73 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -52.22 121.87 22.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.8 -174.79 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.613 HG22 ' HG3' ' A' ' 48' ' ' LYS . 41.1 m -119.8 116.52 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.636 HD12 HG11 ' A' ' 80' ' ' VAL . 37.7 mm -93.96 117.33 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 46' ' ' THR . 61.4 mttt -146.83 130.89 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -112.47 114.13 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -107.18 150.81 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 52' ' ' GLY . 26.1 tttm -106.09 88.22 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.55 37.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -174.28 -175.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -74.71 -4.98 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -87.49 106.26 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m -120.95 141.3 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -113.93 138.91 49.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -121.33 109.34 14.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' CD ' ' N ' ' A' ' 70' ' ' SER . 3.3 tp10 -125.78 130.82 52.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.512 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 3.1 m -132.44 109.38 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 29.3 t60 -86.53 122.95 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 73' ' ' SER . 25.1 t-20 -98.3 152.94 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 15.6 t -88.38 -71.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.49 23.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -67.81 -47.26 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.438 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 0.1 OUTLIER 73.25 40.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -126.45 137.81 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 24.8 m-85 -99.73 107.32 19.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 m -89.76 96.36 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 47' ' ' ILE . 35.0 m -99.19 131.58 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -133.31 144.44 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.3 tp -110.94 125.86 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -116.96 136.33 53.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -133.84 123.32 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.2 18.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 55.91 48.37 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.4 m -59.18 147.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -135.98 164.21 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.667 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -53.77 -38.07 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.42 57.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -93.54 -29.47 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.667 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.5 ptt85 -62.85 147.25 50.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 -114.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.4 OUTLIER -144.52 149.67 36.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.947 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.48 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 52.6 m-85 -132.0 173.15 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -147.92 145.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.69 117.25 26.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -94.13 127.93 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -139.0 110.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.04 132.7 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.88 -73.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 76.1 mttt -126.68 -75.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -107.8 -17.89 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.9 m -90.09 127.68 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.0 t -133.93 112.47 11.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.51 114.2 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.8 p -120.32 139.05 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.09 162.53 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -137.25 125.29 3.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.442 ' C ' ' OD1' ' A' ' 111' ' ' ASN . 30.4 p90 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 m120 -137.71 140.49 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' A' ' 95' ' ' TYR . 35.3 mt -117.26 146.06 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.82 126.14 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ARG . 96.0 t -107.16 99.06 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.91 125.56 29.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.839 HG21 ' OD2' ' A' ' 106' ' ' ASP . 23.8 m -72.48 -23.98 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.676 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -90.43 89.09 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.76 -34.65 12.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -141.15 131.61 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 145.36 30.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.679 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' VAL . 22.3 m-20 -82.01 148.64 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 p -53.29 135.98 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.7 m -133.56 117.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -95.14 112.93 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.7 m -110.27 168.4 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -101.77 139.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -46.35 138.51 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.48 -6.6 79.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.793 ' O ' HG22 ' A' ' 87' ' ' VAL . 1.1 mmmp? -95.1 -176.76 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.67 121.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 146.0 25.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.97 128.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.89 135.02 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.28 135.23 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -155.59 149.28 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -125.81 157.94 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.09 124.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -75.0 102.37 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.51 74.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -45.46 -42.2 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.74 -30.06 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.3 mt -85.96 142.59 36.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.451 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.82 -44.53 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.85 -176.28 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.48 123.14 60.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 157.32 60.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -96.14 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 80' ' ' VAL . 33.9 mm -91.8 121.69 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -154.26 130.27 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CE3' HD22 ' A' ' 82' ' ' LEU . 79.3 m95 -105.25 120.03 40.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.95 157.92 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 28.9 tttt -117.03 107.82 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.18 -93.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LYS . 6.5 ttmt -52.93 -176.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.756 0.312 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -80.92 43.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.365 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 59.5 m-85 -73.68 103.95 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 m -118.26 138.7 52.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-30 -113.05 132.32 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -118.43 108.9 15.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -117.53 123.5 46.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.407 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 2.7 m -130.03 114.5 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -94.28 135.69 35.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -97.68 148.67 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.5 p -89.1 -22.69 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 -71.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 m -63.92 -20.1 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 55.92 44.48 25.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.5 p -121.81 136.39 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.49 109.19 20.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.1 m -86.93 99.16 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 HD12 ' A' ' 47' ' ' ILE . 24.2 m -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -140.99 131.09 24.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 ' CE3' ' A' ' 49' ' ' TRP . 23.9 tp -102.46 120.86 41.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.31 135.84 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.65 115.07 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.77 146.26 18.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 64.25 42.38 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -53.07 139.63 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.18 161.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.41 -32.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.63 -29.89 72.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -27.51 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -69.21 134.37 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.45 -108.45 0.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.3 t80 -144.57 150.69 37.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 76.9 m-85 -138.74 172.4 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -156.51 146.04 20.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 tp -120.14 117.99 29.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.67 136.12 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 45' ' ' PRO . 91.7 t -146.96 114.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -144.29 131.32 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . . . -96.58 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 18.1 mmtp -131.85 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -125.97 19.77 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.8 m -125.2 82.67 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.14 126.84 33.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.839 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.37 123.4 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.1 p -131.49 153.83 49.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.77 157.08 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -130.44 129.66 5.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 2.4 p90 -127.4 -178.62 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.99 132.03 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.37 147.2 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.74 126.14 46.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.31 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.15 141.62 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.139 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.678 HG23 ' HD1' ' A' ' 15' ' ' PHE . 31.3 m -67.03 -21.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.174 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.1 m-85 -94.11 97.53 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 77' ' ' VAL . 12.4 mt -57.32 -32.61 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -150.22 131.06 14.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -97.81 151.41 37.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.518 0.675 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 110.96 2.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.7 137.39 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.2 p -46.52 123.42 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.9 134.45 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.3 p -98.98 124.4 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -129.94 164.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -107.56 144.61 34.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.412 ' HG1' ' HA ' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -49.75 134.41 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.16 -6.33 83.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 1.003 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.4 mmtm -96.0 -178.3 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.58 125.38 53.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.74 154.83 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -148.74 127.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.6 143.33 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.24 130.6 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.39 130.11 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -105.29 154.26 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -139.4 121.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.22 110.41 8.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -33.04 54.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.3 -42.87 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.49 -26.6 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 45' ' ' PRO . 7.0 mt -93.21 146.94 32.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.43 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -127.67 175.61 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -56.21 119.55 28.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.554 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.75 165.54 30.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.2 m -111.88 112.79 24.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.6 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -86.7 125.45 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.4 mtpt -141.4 130.25 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 88.2 m95 -104.21 131.19 51.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -132.47 138.09 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' LYS . 19.3 ttmt -107.34 101.83 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.43 -91.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HG2' ' CD1' ' A' ' 54' ' ' TRP . 8.2 ttpt -56.28 178.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.498 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -75.9 48.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 69.0 m-85 -75.19 99.92 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -105.89 139.68 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 4.7 m-85 -135.14 123.09 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -110.75 117.28 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.888 ' OE2' HG12 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -97.52 135.61 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -134.35 106.59 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -100.48 116.29 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 11.5 m120 -85.08 156.98 20.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.0 p -93.0 -52.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.31 -52.54 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.3 m -70.63 -29.15 65.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.36 44.68 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' CG2' HD12 ' A' ' 16' ' ' LEU . 9.9 p -122.47 143.14 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -100.58 107.83 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -95.8 102.57 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.888 HG12 ' OE2' ' A' ' 69' ' ' GLU . 12.6 m -102.73 132.36 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -121.18 129.08 53.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.492 HD13 ' CE2' ' A' ' 67' ' ' PHE . 8.1 tp -101.75 109.03 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -107.27 122.29 46.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -115.08 138.59 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.53 148.5 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.1 mttt 60.91 49.91 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -60.12 135.79 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.38 164.9 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.539 HD13 ' HD3' ' A' ' 92' ' ' ARG . 2.3 mm? -56.94 -22.11 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.42 -12.57 84.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -89.77 -44.23 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.79 0.329 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.539 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.9 ptt85 -46.79 147.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.32 -114.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.97 148.92 41.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.726 ' CE1' HD12 ' A' ' 112' ' ' ILE . 57.8 m-85 -131.39 167.41 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -145.78 136.41 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.46 HD11 HG23 ' A' ' 47' ' ' ILE . 38.9 tp -113.5 117.33 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.19 134.25 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 45' ' ' PRO . 53.5 t -140.63 109.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -134.64 145.27 48.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 -75.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.69 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.78 -16.89 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.2 m -90.45 133.02 35.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.84 118.54 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.02 148.0 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -147.55 143.97 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.8 t -110.17 162.34 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -138.25 125.96 3.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -119.51 -175.15 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -141.08 132.22 26.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.726 HD12 ' CE1' ' A' ' 95' ' ' TYR . 14.4 mt -112.04 146.49 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.64 130.75 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.02 100.97 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.81 145.26 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' HA ' ' HG1' ' A' ' 26' ' ' THR . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.717 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.69 HG21 HD21 ' A' ' 41' ' ' LEU . 10.3 p -68.49 -30.73 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' HD1' HG13 ' A' ' 14' ' ' VAL . 5.5 m-85 -81.26 97.52 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.98 -32.12 73.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 2.2 tmtp? -137.29 129.12 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 13.0 mttm -102.97 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 101.52 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.45 141.67 48.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -57.17 124.95 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' VAL . 14.0 m -111.85 117.41 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -83.41 129.45 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 m -137.96 168.14 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.53 152.38 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.451 HG23 ' HA ' ' A' ' 88' ' ' VAL . 23.5 m -53.99 130.9 39.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 -8.43 77.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 87' ' ' VAL . 61.1 mmtt -88.62 -175.06 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -114.62 124.71 52.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 149.12 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.44 ' O ' HG11 ' A' ' 22' ' ' VAL . 21.7 t -138.75 129.87 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.72 116.21 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.76 148.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.91 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 17' ' ' LYS . 58.3 mttt -138.33 154.05 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.19 124.42 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.09 111.72 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -73.22 -42.72 41.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.87 -53.56 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.295 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.32 -30.26 59.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.69 HD21 HG21 ' A' ' 14' ' ' VAL . 10.9 mt -88.5 142.34 31.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -38.17 7.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -139.82 -175.38 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -60.06 119.87 45.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.8 161.55 45.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.286 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -105.93 112.72 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.931 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -87.62 132.09 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.883 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.3 mtpt -147.08 139.48 24.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.62 ' CE3' HD22 ' A' ' 82' ' ' LEU . 85.8 m95 -115.51 121.41 42.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.4 154.31 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' LYS . 23.8 ttmt -120.02 93.97 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.34 -88.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.8 ttmm -55.42 -174.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.86 4.02 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 7.8 ptp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 67.5 m-85 -77.12 117.77 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.7 m -123.71 126.48 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 8.0 m-85 -113.87 121.52 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -117.7 108.07 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -106.3 124.72 50.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 69' ' ' GLU . 37.8 m -109.59 108.38 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.423 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -88.83 112.57 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -97.45 155.56 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.5 t -102.95 -58.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -68.01 -20.73 65.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 53.97 49.98 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.87 134.13 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -93.2 121.89 35.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 m -107.77 108.43 19.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.931 HG11 HG12 ' A' ' 47' ' ' ILE . 32.9 m -104.49 139.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -129.48 136.17 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD22 ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -118.17 108.57 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -106.78 137.7 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -130.09 111.41 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -88.98 148.32 20.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 32.1 mtmt 60.77 54.17 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -63.32 157.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -144.23 167.37 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.521 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.7 OUTLIER -55.77 -32.44 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.54 -9.54 74.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.02 -38.94 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.521 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.6 ptt85 -56.38 144.21 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -111.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 1.3 t80 -154.75 146.75 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD12 ' A' ' 112' ' ' ILE . 64.9 m-85 -125.64 179.97 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -149.92 132.65 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 48' ' ' LYS . 68.0 tp -113.07 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -92.42 139.79 30.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 53.6 t -139.04 120.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -147.31 151.5 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.09 -73.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -127.28 -75.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -111.19 -7.42 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.6 m -100.22 128.82 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.62 108.25 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.07 153.41 46.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 p -148.75 157.2 43.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 72.0 m -153.33 121.78 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.81 157.88 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.477 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 1.4 p90 -129.93 -175.0 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -139.16 135.8 34.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.673 HD12 ' CE1' ' A' ' 95' ' ' TYR . 48.0 mt -123.38 150.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -126.17 141.16 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 26' ' ' THR . 90.9 t -125.12 91.64 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -79.43 118.77 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 111.064 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 41' ' ' LEU . 81.8 t -74.52 -43.07 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 99' ' ' VAL . 5.2 m-85 -71.64 100.54 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -137.77 131.19 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -102.83 145.55 30.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.92 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 22' ' ' VAL . 64.5 m-20 -79.09 129.0 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 m -37.51 133.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 22' ' ' VAL . 35.4 m -123.32 121.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -87.06 113.69 23.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -117.24 167.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.99 139.45 47.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -47.14 136.03 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.92 84.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.84 ' O ' HG22 ' A' ' 87' ' ' VAL . 34.7 mmtm -98.11 -175.86 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.55 120.89 41.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.4 148.17 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.61 124.65 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.83 143.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.25 136.76 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -163.37 145.41 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -120.6 161.44 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -141.75 122.01 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -73.65 111.43 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -74.77 -53.5 6.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 24.8 mtpt -35.05 -69.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -39.97 -44.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 45' ' ' PRO . 29.1 mt -67.03 143.54 97.97 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.5 Cg_endo -69.68 -49.05 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.647 ' C ' ' HB1' ' A' ' 101' ' ' ALA . 5.5 t70 -125.52 -175.66 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -63.1 119.65 54.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 148.18 64.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -107.59 112.86 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 97' ' ' LEU . 4.1 mp -93.73 130.3 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -143.99 123.65 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.592 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 87.8 m95 -89.87 113.59 25.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.29 153.17 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 53' ' ' LYS . 15.8 ttmm -109.64 91.26 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.31 -90.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' LYS . 28.3 mtmt -52.5 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -80.23 43.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -78.16 109.89 12.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -119.01 135.43 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.592 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 7.6 m-85 -120.21 130.32 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -118.77 107.82 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.85 118.36 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -110.05 102.68 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -93.2 120.87 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 27.7 m-80 -96.87 154.6 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.0 p -100.05 -12.7 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.78 -64.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' ASN . 2.1 m -70.96 -1.98 13.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.454 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m120 35.93 51.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.18 135.21 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -102.22 102.48 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.2 m -88.49 113.89 24.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.36 144.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.98 123.92 16.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 84' ' ' ILE . 25.0 tp -94.81 120.72 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -114.39 116.43 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 82' ' ' LEU . 49.4 mt -116.99 124.48 73.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.18 151.7 17.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp 56.51 43.18 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -52.72 140.49 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.56 160.27 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.9 mm? -49.68 -34.02 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -26.97 71.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.827 ' OD2' HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -70.42 -36.19 73.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.426 ' HD3' HD13 ' A' ' 89' ' ' LEU . 5.6 ptt-85 -59.89 139.46 57.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 111' ' ' ASN . . . 156.86 -95.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.8 t80 -165.35 144.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.1 m-85 -125.53 178.97 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.953 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -151.68 143.21 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 47' ' ' ILE . 30.5 tp -121.13 119.5 32.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -97.95 139.22 34.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 15' ' ' PHE . 47.4 t -139.49 117.05 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -147.53 132.57 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 43' ' ' ASP . . . -113.19 -75.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 13.6 tptp -115.17 -69.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -16.43 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.5 m -80.41 135.38 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.1 p -135.14 104.92 6.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.45 148.47 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 p -148.88 152.67 36.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.6 p -120.48 157.91 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.15 121.24 2.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -124.42 175.92 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 93' ' ' GLY . 11.0 t-20 -133.92 140.9 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 95' ' ' TYR . 19.0 mt -121.04 146.41 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.94 135.2 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.827 HG21 ' OD2' ' A' ' 91' ' ' ASP . 72.4 t -118.86 102.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.3 135.46 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.129 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' HD1' ' A' ' 15' ' ' PHE . 15.5 m -88.34 -24.62 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.604 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.4 m-85 -101.52 92.63 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.23 -36.06 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -147.79 133.59 19.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -104.19 150.92 38.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 121.21 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.11 131.65 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.7 p -42.59 123.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -111.8 135.56 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -101.17 115.52 30.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 m -120.92 165.4 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.86 148.76 23.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 88' ' ' VAL . 9.8 m -58.14 127.56 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 12.33 57.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HG22 ' A' ' 87' ' ' VAL . 21.1 mmmt -113.23 -176.6 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -108.02 120.67 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.31 148.85 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.63 141.22 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 89.5 t -136.24 133.76 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.6 132.39 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.91 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -108.97 155.82 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -139.94 120.87 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -72.57 111.71 7.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -70.86 -50.85 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -38.04 -58.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -48.33 -41.7 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.4 mt -74.12 140.51 76.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -42.12 3.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.301 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -139.28 177.78 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -49.28 120.52 10.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.73 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -106.93 112.95 26.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.775 HD12 HG11 ' A' ' 80' ' ' VAL . 25.9 mm -90.68 111.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 6.6 mtpp -148.04 137.62 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.758 ' CE3' HD22 ' A' ' 82' ' ' LEU . 76.7 m95 -109.33 156.29 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 79.7 m-85 -152.63 160.41 43.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -120.95 108.47 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 37.15 -91.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.95 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -82.78 24.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.06 99.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.2 m -107.54 145.65 32.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -131.88 120.52 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -120.63 112.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.37 120.72 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -126.0 124.22 40.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -102.76 136.71 42.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -92.65 152.13 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -86.97 -34.12 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -59.29 -38.11 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 68.56 45.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.26 136.28 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.28 103.11 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 m -83.08 105.3 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.775 HG11 HD12 ' A' ' 47' ' ' ILE . 26.2 m -105.47 142.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -134.71 145.54 48.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.5 tp -120.95 105.93 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.19 129.18 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.5 mt -125.29 111.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.02 156.15 26.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt 56.34 49.96 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.7 m -66.83 137.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -127.7 167.71 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.76 -27.73 43.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.18 -23.54 77.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' ARG . 38.6 m-20 -78.21 -55.85 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 5.4 ptt85 -35.75 145.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.26 -111.5 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.505 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -148.09 153.33 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 112' ' ' ILE . 29.7 m-85 -140.1 178.09 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.16 140.07 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.89 120.75 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -91.7 130.51 37.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -141.98 109.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -143.91 118.16 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.62 -71.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -126.7 -66.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.99 -28.61 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.6 m -73.76 121.72 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.6 112.51 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.528 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -137.35 131.46 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.0 p -139.54 143.06 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.3 t -107.72 160.37 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.54 119.15 2.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 13.0 p90 -117.75 -179.75 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 94' ' ' TYR . 7.5 m120 -143.78 133.49 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 95' ' ' TYR . 62.3 mt -111.85 154.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.8 t70 -129.11 137.92 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.53 HG12 ' OG1' ' A' ' 26' ' ' THR . 60.7 t -120.5 92.5 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.65 125.0 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 111.07 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 41' ' ' LEU . 60.9 t -91.07 -41.46 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.515 ' HE2' HD23 ' A' ' 97' ' ' LEU . 3.3 m-85 -74.59 88.89 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.54 -31.12 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -150.66 128.75 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.1 mppt? -100.32 148.89 35.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.82 4.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.61 146.57 27.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 p -53.07 124.43 14.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.63 129.74 73.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -97.9 133.64 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.15 165.73 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -110.81 143.28 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.27 133.01 16.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 2.5 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' O ' HG22 ' A' ' 87' ' ' VAL . 17.1 mmtp -106.5 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.49 123.73 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.96 147.38 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.99 134.79 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.75 145.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.41 136.98 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.08 131.37 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -112.45 152.86 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -133.29 126.07 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.46 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.11 -42.92 34.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -49.71 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.714 0.293 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -48.12 -30.45 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 14' ' ' VAL . 28.5 mt -82.89 145.47 50.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.0 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -143.11 -178.63 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -56.39 121.2 41.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.5 Cg_endo -69.79 -176.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -124.85 113.34 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.873 HG12 HG11 ' A' ' 80' ' ' VAL . 3.8 mp -92.11 116.9 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -143.99 124.45 13.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 64.1 m95 -100.68 127.46 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -117.17 140.85 49.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' LYS . 69.8 tttt -104.79 109.61 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.07 -91.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' LYS . 7.9 ttmt -51.76 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.83 22.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -80.03 96.47 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 m -107.63 123.07 47.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 37.5 m-85 -108.32 125.91 52.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -114.04 110.08 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -114.8 118.72 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -121.64 109.18 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 3.5 p80 -89.04 127.82 35.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -85.9 155.16 21.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.4 p -95.55 -45.36 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.58 -67.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -66.05 -29.25 69.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.8 t30 65.62 37.7 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.62 141.84 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.23 124.13 42.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.446 HG22 ' OE1' ' A' ' 81' ' ' GLU . 46.2 m -107.15 107.3 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.873 HG11 HG12 ' A' ' 47' ' ' ILE . 30.1 m -108.79 137.65 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' OE1' HG22 ' A' ' 79' ' ' THR . 2.1 mp0 -137.03 130.02 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 tp -99.42 119.99 38.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -117.83 133.25 56.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.3 mt -130.69 126.16 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.45 155.92 21.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp 51.36 43.86 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -44.83 142.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.18 158.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.03 -33.48 18.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.79 -24.78 75.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -27.74 62.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -66.37 139.53 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.71 -112.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -151.91 155.06 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.934 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 47.6 m-85 -133.08 171.93 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -140.09 132.01 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.515 HD23 ' HE2' ' A' ' 15' ' ' PHE . 58.0 tp -109.19 114.48 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -93.27 136.37 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 92.3 t -143.31 116.4 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -143.31 130.31 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.47 -75.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -127.88 -74.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.3 -19.96 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 87.1 m -85.5 136.47 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.44 117.81 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -141.45 143.28 33.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.1 p -149.66 141.76 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.8 m -133.07 140.78 47.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -116.45 153.01 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.1 p90 -125.61 179.27 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -131.16 128.26 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.3 mt -116.88 148.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.37 140.26 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.7 t -123.31 96.05 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.25 131.62 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.09 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 41' ' ' LEU . 58.0 t -54.56 -40.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -71.12 87.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.38 -43.52 64.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -133.01 131.22 40.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -101.74 143.36 26.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' HG13 ' A' ' 22' ' ' VAL . 25.2 m-20 -94.39 137.61 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 t -43.2 145.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 20' ' ' ASP . 21.9 m -139.66 121.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 117.08 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.7 m -117.73 168.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -96.7 135.43 38.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.675 ' OG1' HG12 ' A' ' 114' ' ' VAL . 29.4 m -46.19 133.13 9.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.7 -14.11 65.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.77 ' O ' HG22 ' A' ' 87' ' ' VAL . 16.5 mmtp -89.57 -175.41 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -112.48 120.71 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.69 153.91 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' NE2' ' A' ' 83' ' ' HIS . 91.1 t -144.11 135.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 83.7 t -128.5 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -110.05 135.52 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.02 124.79 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -107.71 154.32 21.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 41' ' ' LEU . 84.4 t -133.22 127.3 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' O ' HD12 ' A' ' 41' ' ' LEU . 16.9 t-20 -71.57 117.48 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.28 -48.97 7.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -49.31 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -42.14 -46.83 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD21 HG11 ' A' ' 14' ' ' VAL . 13.8 mt -65.14 147.18 98.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.72 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -139.59 -177.82 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -50.8 114.8 5.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.6 m -128.83 112.75 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 3.9 mp -89.22 134.68 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -149.51 122.99 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.803 ' CE3' HD22 ' A' ' 82' ' ' LEU . 66.5 m95 -99.9 129.75 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.16 157.31 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' GLY . 50.0 tttt -118.65 112.69 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.65 -100.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.34 48.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -54.46 105.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.8 m -105.55 161.2 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 25.8 m-85 -141.07 120.81 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -112.22 110.84 21.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -119.78 126.58 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.0 p -122.82 118.27 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.16 122.68 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.8 146.45 23.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 m -87.3 -45.45 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.53 -48.08 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -71.55 -42.67 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.3 t30 69.92 42.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.6 p -126.57 139.55 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.59 100.42 11.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.9 m -87.14 108.18 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 18.7 m -106.65 140.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -136.98 122.61 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.803 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.0 tp -93.12 119.84 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.817 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.2 m170 -115.59 128.92 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 mt -117.33 107.97 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.83 143.4 21.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 61.9 50.79 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.7 m -57.17 150.79 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 26' ' ' THR . 31.1 m -138.16 162.93 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.98 -35.39 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.59 -23.62 67.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' ARG . 71.8 m-20 -77.02 -56.22 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.528 ' HB3' HG23 ' A' ' 114' ' ' VAL . 3.5 ptt85 -36.54 137.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.76 -106.68 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -153.53 158.96 42.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.382 . . . . 0.0 110.926 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 112' ' ' ILE . 84.6 m-85 -141.55 177.2 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -142.61 143.77 32.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.3 tp -122.12 108.55 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.86 134.99 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.6 t -139.44 127.62 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -150.98 127.58 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.46 -74.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' CG ' ' HB2' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -125.86 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -117.46 -30.12 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.0 m -71.63 140.37 49.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -137.88 113.22 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -138.22 141.86 39.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -143.69 143.84 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 1.9 t -118.53 159.79 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.03 128.21 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 10.4 p90 -120.07 175.95 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -137.74 125.48 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.61 HD12 ' CE1' ' A' ' 95' ' ' TYR . 67.6 mt -110.77 148.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.71 147.96 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.675 HG12 ' OG1' ' A' ' 26' ' ' THR . 47.7 t -129.47 94.79 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.37 123.68 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -88.07 -50.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -65.12 88.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.13 -37.34 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 8.8 tmtm? -129.56 128.62 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 30.3 mttt -99.71 141.05 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.24 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.94 140.29 47.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.7 p -53.77 133.49 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 m -119.75 127.26 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 p -93.17 125.72 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -134.86 168.23 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -111.09 143.27 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -43.65 141.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.38 -8.88 62.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.843 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.0 mmtt -91.47 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 121.35 36.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 155.59 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -147.86 124.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -117.98 132.31 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.631 HG22 ' OE2' ' A' ' 81' ' ' GLU . 40.8 t -113.4 136.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.42 157.77 43.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' N ' ' HB3' ' A' ' 17' ' ' LYS . 33.3 mmtt -125.37 154.99 41.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.2 t -139.92 119.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.53 116.01 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.18 -36.67 30.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -52.21 -66.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -41.15 -41.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.59 145.16 78.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.83 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.46 179.92 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -54.87 121.48 35.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.76 178.26 4.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 48' ' ' LYS . 99.1 m -111.72 112.81 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 HG11 ' A' ' 80' ' ' VAL . 31.0 mm -88.93 120.21 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.634 ' HG3' HG22 ' A' ' 46' ' ' THR . 18.3 mtmm -149.3 129.82 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.644 ' CE3' HD22 ' A' ' 82' ' ' LEU . 86.0 m95 -104.7 117.31 33.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.8 143.24 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 95' ' ' TYR . 29.1 tttm -97.02 107.4 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.06 -93.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.5 ttmm -51.68 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -76.24 47.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -72.56 111.22 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -118.09 157.8 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.643 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 5.1 m-85 -146.62 136.97 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.77 109.89 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -104.55 138.78 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -130.9 118.52 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.5 122.17 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.26 140.36 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.3 p -79.71 -41.41 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.68 -58.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.7 m -59.65 -39.55 84.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 69.97 33.88 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG21 ' HD2' ' A' ' 35' ' ' LYS . 7.2 p -122.67 148.12 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.31 112.15 25.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 m -88.35 102.76 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.508 HG11 HD12 ' A' ' 47' ' ' ILE . 33.5 m -111.67 128.76 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.631 ' OE2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -122.53 167.86 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.644 HD22 ' CE3' ' A' ' 49' ' ' TRP . 36.2 tp -135.11 110.67 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -104.45 125.23 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -122.87 105.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.09 150.6 22.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 mttt 55.37 52.5 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.8 m -62.29 148.76 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.572 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.5 m -132.67 169.98 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.77 -34.51 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.2 -22.71 72.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.92 58.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -59.6 136.27 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' ASN . . . 153.17 -119.25 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.34 151.38 37.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.622 ' CE1' HD12 ' A' ' 112' ' ' ILE . 68.5 m-85 -130.79 165.79 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -132.26 131.43 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.0 tp -109.18 113.31 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -91.73 137.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 45' ' ' PRO . 86.5 t -146.93 111.66 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.0 OUTLIER -142.76 156.24 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.425 ' N ' ' HD2' ' A' ' 100' ' ' LYS . . . -130.84 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -124.4 -74.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.41 -15.08 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.3 m -94.87 123.65 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 t -131.31 109.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.59 145.51 51.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.2 p -142.76 145.38 33.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 4.1 t -128.72 135.9 49.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.27 141.81 17.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.0 p90 -121.81 -178.03 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t-20 -137.06 139.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 95' ' ' TYR . 66.8 mt -128.2 147.83 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -125.14 139.69 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 88' ' ' VAL . 58.9 t -122.47 95.53 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.81 130.62 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 111.068 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.674 HG11 HD21 ' A' ' 41' ' ' LEU . 99.2 t -71.85 -46.05 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CE2' HD23 ' A' ' 97' ' ' LEU . 4.4 m-85 -69.23 91.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.0 -33.47 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.01 128.65 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -96.73 146.34 31.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.76 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.04 138.36 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -48.62 146.79 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -138.71 119.36 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -87.29 122.74 31.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.2 m -123.56 167.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -104.64 136.91 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.672 ' OG1' HG12 ' A' ' 114' ' ' VAL . 25.4 m -44.73 132.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 -13.08 68.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.86 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.5 mmtt -89.69 -175.74 4.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.48 122.94 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.05 156.47 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 83' ' ' HIS . 89.8 t -147.17 138.42 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 110' ' ' PHE . 93.3 t -133.08 137.49 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.59 138.62 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.41 135.85 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -117.07 154.25 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.28 119.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' CG ' ' HG3' ' A' ' 40' ' ' GLU . 9.5 t-20 -71.73 109.2 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.54 -32.44 64.6 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.11 -53.89 52.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 37' ' ' ASN . 10.9 mt-10 -51.31 -39.14 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 104' ' ' THR . 6.6 mt -79.7 141.71 56.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.52 2.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.29 176.42 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.02 121.71 57.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.78 -172.17 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -132.14 119.26 20.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -101.67 107.06 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -135.87 124.26 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.401 ' HZ3' ' CE1' ' A' ' 110' ' ' PHE . 72.1 m95 -92.23 135.62 33.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -126.98 149.58 49.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 32.0 ttmt -117.4 99.86 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.32 -89.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -51.64 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -82.21 39.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.13 108.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -116.36 159.37 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -148.58 121.61 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.66 133.17 56.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HG2' HG12 ' A' ' 80' ' ' VAL . 1.3 tm-20 -140.15 121.54 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.8 p -120.16 126.88 51.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.7 p80 -106.98 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -86.42 154.64 21.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 m -91.85 -54.69 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -50.84 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.45 ' HB3' HG12 ' A' ' 77' ' ' VAL . 1.1 t -56.79 -43.59 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 70.47 35.43 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 75' ' ' SER . 6.7 p -125.27 144.61 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -104.11 125.57 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.3 m -109.87 109.38 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.823 HG11 HG12 ' A' ' 47' ' ' ILE . 26.1 m -112.52 144.91 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -146.0 137.22 24.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 84' ' ' ILE . 31.5 tp -105.19 123.76 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.5 m-70 -117.69 121.23 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.454 HD11 HD21 ' A' ' 82' ' ' LEU . 31.5 mt -120.99 106.32 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.76 147.14 20.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt 66.21 39.12 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.0 m -49.8 160.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.601 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.9 m -149.23 166.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.09 -39.21 63.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.12 -21.42 61.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.41 -50.61 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -39.21 139.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.48 -117.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -153.03 144.74 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 112' ' ' ILE . 54.0 m-85 -120.21 173.8 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -147.94 129.27 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.486 HD23 ' CE2' ' A' ' 15' ' ' PHE . 47.6 tp -101.25 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -91.8 126.36 36.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.69 111.65 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -124.4 152.91 42.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 104' ' ' THR . . . -145.65 178.02 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' ALA . 26.9 mmtt -37.63 -68.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.6 26.28 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.945 HG21 HD23 ' A' ' 41' ' ' LEU . 85.1 m -135.78 110.31 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.19 120.2 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -149.98 149.74 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -148.63 142.02 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' CYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 74.2 m -138.26 136.64 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.21 162.09 12.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.8 OUTLIER -128.51 -175.0 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -138.29 137.78 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 95' ' ' TYR . 53.5 mt -131.08 151.54 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -130.7 138.71 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.672 HG12 ' OG1' ' A' ' 26' ' ' THR . 98.0 t -117.19 98.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.58 126.57 35.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.773 HG11 HD21 ' A' ' 41' ' ' LEU . 58.2 t -72.52 -45.15 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.451 ' HE2' HD23 ' A' ' 97' ' ' LEU . 7.0 m-85 -71.81 98.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.72 -43.38 97.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -133.31 130.14 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -98.56 142.7 25.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 148.44 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.9 p -54.93 142.17 30.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 112' ' ' ILE . 35.1 m -136.86 117.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -88.11 122.18 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.72 167.22 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.7 139.03 35.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.743 ' OG1' HG12 ' A' ' 114' ' ' VAL . 21.5 m -50.09 129.83 21.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.5 -13.3 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.7 mmtp -89.08 -175.01 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.37 120.55 42.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.65 154.52 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.46 139.44 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -138.1 132.33 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -108.65 141.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.15 128.59 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -104.32 154.74 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -137.51 121.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -72.77 113.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.95 -48.2 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.68 -61.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -46.64 -43.55 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.773 HD21 HG11 ' A' ' 14' ' ' VAL . 18.7 mt -70.75 141.33 87.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.73 7.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -143.84 -177.28 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -57.23 118.81 26.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.79 164.87 32.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 48' ' ' LYS . 86.3 m -101.28 113.23 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD12 HG11 ' A' ' 80' ' ' VAL . 22.7 mm -90.72 110.9 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 46' ' ' THR . 70.0 mttt -141.09 125.42 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -95.25 146.06 24.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -142.82 158.38 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LYS . 21.2 ttmt -122.95 100.96 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.36 -93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.1 ttmt -50.18 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -81.67 39.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 6.7 ptm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 41.5 m-85 -74.41 104.81 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -112.07 123.0 49.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -110.6 118.2 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -111.5 133.71 53.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -133.97 123.97 25.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -132.17 116.26 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -101.86 135.85 42.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.4 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -74.29 -54.9 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.97 -53.21 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -45.01 95.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 72.49 42.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.26 141.4 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -102.18 111.84 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.1 m -93.81 96.5 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 47' ' ' ILE . 32.2 m -100.82 134.21 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -132.94 132.75 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -105.15 119.83 40.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.93 121.64 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -112.7 107.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.21 142.38 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 64' ' ' ARG . 82.3 mttt 62.83 49.53 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 28' ' ' LYS . 12.6 m -57.4 156.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.669 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.1 m -146.31 161.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -48.31 -36.68 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.07 -29.71 59.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 92' ' ' ARG . 2.1 m-20 -76.64 -53.23 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.8 ptt-85 -35.32 136.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.771 ' CE1' HD12 ' A' ' 112' ' ' ILE . 25.8 m-85 -114.21 177.41 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -150.9 136.11 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD23 ' HE2' ' A' ' 15' ' ' PHE . 44.2 tp -111.68 119.1 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -95.43 137.93 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 45' ' ' PRO . 62.5 t -143.41 132.13 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -162.27 126.04 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.76 -74.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -122.83 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.87 -32.69 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.4 m -67.63 141.35 56.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 p -138.49 118.41 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -141.96 132.9 25.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.5 p -139.05 138.65 37.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.64 162.39 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -139.3 125.78 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 3.8 p90 -115.91 179.84 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -139.19 140.24 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.771 HD12 ' CE1' ' A' ' 95' ' ' TYR . 57.7 mt -129.7 143.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.23 126.05 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.743 HG12 ' OG1' ' A' ' 26' ' ' THR . 82.5 t -101.9 93.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.6 119.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 111.08 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.6 HG23 ' HD1' ' A' ' 15' ' ' PHE . 17.0 m -76.96 -25.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.6 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.5 m-85 -80.37 92.09 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.87 -34.36 62.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 1.2 tmtp? -145.42 128.82 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -102.97 145.63 30.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 22' ' ' VAL . 82.6 m-20 -92.21 133.68 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 t -38.09 146.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.8 m -138.27 119.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 p -88.15 113.6 23.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HG21 ' A' ' 87' ' ' VAL . 4.0 m -117.1 165.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.4 144.35 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 88' ' ' VAL . 8.0 m -52.58 131.2 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.45 13.15 63.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.779 ' O ' HG22 ' A' ' 87' ' ' VAL . 22.3 mmmt -112.8 -175.85 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -116.1 120.83 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 151.44 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG13 ' NE2' ' A' ' 83' ' ' HIS . 75.9 t -141.03 127.66 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 92.2 t -119.31 148.81 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.86 142.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -164.19 142.07 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -113.55 156.88 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.75 118.62 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -72.19 101.27 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -68.79 -46.89 58.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -39.88 -58.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.96 -41.73 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.769 HD12 ' HA2' ' A' ' 38' ' ' GLY . 10.0 mt -69.03 140.61 91.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.435 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -26.7 27.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -155.68 179.39 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -53.76 117.88 13.6 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.75 171.82 13.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -116.91 113.28 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.67 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -93.98 126.54 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -145.76 123.18 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CE3' HD22 ' A' ' 82' ' ' LEU . 89.6 m95 -93.17 123.75 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.54 151.4 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 49.9 tttt -117.88 104.14 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.9 -92.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 15.8 ttpp -47.83 175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.3 p-90 -76.03 48.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -59.59 107.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -126.19 157.9 36.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -138.57 140.16 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -130.9 113.79 14.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HG3' HG12 ' A' ' 80' ' ' VAL . 20.1 tt0 -112.61 132.59 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -125.96 101.88 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.2 p80 -90.28 121.58 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.41 152.36 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 t -88.61 -42.92 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -55.88 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -67.81 -34.74 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.71 46.97 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.22 138.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.87 102.17 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.4 m -86.32 106.97 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 47' ' ' ILE . 22.2 m -103.13 139.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.11 126.28 29.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD22 ' CE3' ' A' ' 49' ' ' TRP . 22.8 tp -96.73 112.34 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.5 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -106.27 124.5 49.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.1 120.73 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.99 153.13 19.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mttp 57.94 49.89 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -65.33 136.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 26' ' ' THR . 15.8 m -128.44 168.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.97 -29.48 43.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.2 -19.35 73.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' ARG . 5.0 m-20 -83.32 -54.51 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.0 ptt85 -36.33 141.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.83 -109.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -155.19 146.31 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.891 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 72.3 m-85 -126.25 177.21 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -152.77 141.99 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 15' ' ' PHE . 45.2 tp -115.68 121.8 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -102.48 133.09 48.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -139.18 135.9 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -164.81 125.71 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.15 -70.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 30.4 mmtt -131.58 -64.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.56 -32.0 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.0 m -71.38 140.39 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.7 p -137.13 113.3 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -135.52 144.75 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -148.34 143.55 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.3 m -134.3 138.0 44.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.61 151.93 17.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -127.37 -175.37 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.94 130.52 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.554 HD12 ' CE1' ' A' ' 95' ' ' TYR . 77.0 mt -121.74 140.72 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.73 128.37 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.433 HG12 ' OG1' ' A' ' 26' ' ' THR . 92.5 t -104.98 90.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.15 130.19 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 41' ' ' LEU . 96.9 t -55.51 -50.72 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.18 95.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.28 -42.25 81.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -134.86 128.72 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -100.0 143.26 26.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.82 133.21 24.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.15 150.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -53.54 145.86 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.3 m -144.45 117.2 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 113' ' ' ASP . 52.1 m -96.17 107.98 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.4 m -104.3 168.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.12 137.01 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.2 m -44.95 134.06 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.32 -13.65 67.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -90.26 179.8 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.81 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 149.44 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.1 137.48 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 79.0 t -133.8 125.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.6 138.3 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.69 126.64 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -105.36 153.25 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.62 119.26 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 42.4 t-20 -71.48 105.57 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -69.9 -47.31 47.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -47.32 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 49.9 mm-40 -45.76 -44.38 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 14' ' ' VAL . 13.5 mt -68.08 146.1 97.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.48 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -44.67 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -140.08 176.28 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -49.6 116.23 5.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.75 161.98 43.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 m -108.52 112.58 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.6 HG23 HD11 ' A' ' 97' ' ' LEU . 4.7 mp -90.51 130.14 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 26.9 mttm -152.58 125.65 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -96.98 131.78 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 48' ' ' LYS . 6.7 m-85 -130.71 150.25 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' LYS . 16.7 ttmt -103.27 89.04 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.83 -86.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.8 mtmt -51.11 -176.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.02 38.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 38.0 m-85 -69.73 104.93 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -114.59 161.62 17.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -138.05 121.58 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -114.61 111.48 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -113.98 127.52 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -117.31 111.92 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -97.77 118.15 33.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HB2' ' A' ' 75' ' ' SER . 82.3 m-20 -90.63 149.64 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 p -83.72 -62.05 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.03 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 72' ' ' ASN . 58.8 m -71.19 -43.61 67.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 67.69 41.9 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.16 142.87 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -104.11 102.13 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 m -87.64 102.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 HG12 ' A' ' 47' ' ' ILE . 21.8 m -101.15 134.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -130.99 119.31 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 tp -88.66 123.41 33.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -119.49 116.61 26.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -113.25 103.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.25 149.32 27.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt 61.94 48.17 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' LYS . 5.8 m -58.13 146.9 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.1 m -136.01 162.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.51 -39.19 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.3 -25.01 62.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.98 -50.48 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.34 138.83 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.3 -105.5 0.27 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 3.0 t80 -151.05 155.56 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.669 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.0 m-85 -139.87 175.38 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -157.76 143.54 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 47' ' ' ILE . 29.0 tp -117.76 115.57 25.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -91.54 133.2 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 45' ' ' PRO . 82.1 t -141.46 122.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.89 135.65 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.03 -72.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 16.5 mmtp -124.41 -64.15 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -133.82 24.38 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.3 m -125.35 110.89 14.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.0 p -107.48 114.13 27.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.56 118.46 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -127.23 150.48 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.02 131.29 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.89 147.8 17.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -129.21 -175.49 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -137.76 122.5 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.669 HD12 ' CE1' ' A' ' 95' ' ' TYR . 71.8 mt -113.2 146.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 23' ' ' SER . 2.1 t70 -123.36 141.94 51.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -122.78 90.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.79 115.95 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 111.084 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 ' OD2' ' A' ' 106' ' ' ASP . 6.6 m -68.38 -32.27 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -91.43 89.55 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.47 -33.41 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -146.46 129.23 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -103.2 151.21 38.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.4 Cg_endo -69.71 102.46 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.05 137.56 40.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.539 ' HB3' ' ND2' ' A' ' 111' ' ' ASN . 34.8 p -44.6 130.67 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.24 123.72 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 p -95.16 108.09 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 87' ' ' VAL . 1.8 m -112.67 167.56 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -106.88 147.1 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.8 m -55.03 129.99 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -1.91 68.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.828 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.6 mmmt -101.13 -175.32 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.65 122.55 47.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.86 154.77 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG22 ' ND1' ' A' ' 83' ' ' HIS . 96.1 t -149.1 132.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 57.6 t -126.37 143.31 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.66 134.31 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.09 9.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -108.38 152.55 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -133.2 122.45 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.45 101.65 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -61.26 -50.7 64.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 48.6 mttt -40.09 -49.72 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -55.3 -37.3 67.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 45' ' ' PRO . 4.5 mt -84.7 142.27 39.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -36.67 10.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.22 170.79 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -46.24 116.33 3.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.8 -179.62 3.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.445 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 53.9 m -119.23 112.93 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.689 HG23 HD11 ' A' ' 97' ' ' LEU . 4.0 mp -95.26 124.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 46' ' ' THR . 67.5 mttm -142.06 123.08 14.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.98 118.95 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -111.33 147.33 35.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' LYS . 38.9 tttt -111.34 95.32 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.3 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.9 ttmt -53.03 -174.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.48 30.2 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 3.4 m-85 -110.59 123.29 49.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -121.76 124.34 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.2 m-85 -113.73 138.39 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -134.6 116.53 15.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -108.1 115.94 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -107.23 105.9 16.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.92 139.52 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -108.48 157.01 18.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.7 m -107.38 -23.5 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.85 -64.94 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -67.05 -13.73 62.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 m-20 50.89 43.98 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -122.12 145.74 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.5 109.77 21.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 107.26 18.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.44 127.41 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -122.3 149.13 44.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tp -123.0 112.12 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' HG22 ' A' ' 31' ' ' VAL . 16.0 m-70 -104.89 137.74 42.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -131.39 108.92 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.48 155.24 29.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.9 mttt 51.97 53.64 12.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -68.07 135.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.761 ' HA ' HG23 ' A' ' 26' ' ' THR . 16.7 m -126.69 166.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -34.75 64.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.67 -8.0 59.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -94.28 -36.78 11.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HB3' HG23 ' A' ' 114' ' ' VAL . 5.2 ptt-85 -53.54 134.13 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.29 -130.27 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 2.3 t80 -132.52 137.79 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 110' ' ' PHE . 89.1 m-85 -116.85 154.45 30.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.85 137.37 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.689 HD11 HG23 ' A' ' 47' ' ' ILE . 32.6 tp -119.38 125.01 47.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -105.7 138.89 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' A' ' 45' ' ' PRO . 75.5 t -143.0 110.07 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -141.67 129.79 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -125.21 -74.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.87 -16.96 14.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 80.2 m -85.93 129.22 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.3 p -127.38 117.49 22.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -142.87 138.9 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -143.24 147.13 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.68 124.8 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.82 174.23 19.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 95' ' ' TYR . 1.0 OUTLIER -146.68 -176.91 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 21' ' ' SER . 0.7 OUTLIER -139.39 133.06 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.44 150.29 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.66 126.19 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HB3' ' A' ' 92' ' ' ARG . 23.9 t -107.91 95.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.13 126.51 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.135 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 p -106.96 156.72 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -145.39 173.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.84 -145.46 16.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -164.31 171.39 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -153.21 165.76 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.23 134.41 3.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.19 170.79 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.9 mm-40 -90.47 128.21 36.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' GLU . 2.2 mp0 -35.59 144.02 0.25 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 134.17 27.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -83.22 45.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.44 155.58 25.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG13 ' HD1' ' A' ' 15' ' ' PHE . 2.1 p -66.27 -39.21 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.614 ' HE2' HD23 ' A' ' 97' ' ' LEU . 4.1 m-85 -73.4 87.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.36 -31.83 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 5.4 tmtt? -136.83 128.94 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 84.9 mttt -102.55 143.35 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.38 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.76 133.22 49.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.3 m -45.9 127.26 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.0 m -113.35 123.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -95.12 109.97 21.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.9 m -113.73 168.07 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.49 143.99 32.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.4 m -48.58 137.24 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.06 84.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.818 ' O ' HG22 ' A' ' 87' ' ' VAL . 72.5 mmtt -95.37 -179.94 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.71 120.82 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.93 155.18 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -150.95 127.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.77 145.22 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -123.37 131.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.0 151.99 29.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -129.16 162.43 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -141.16 124.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -75.51 102.88 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -42.8 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -46.64 -52.55 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -57.82 -32.29 67.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.6 mt -83.52 142.63 43.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.0 Cg_endo -69.68 -45.32 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -128.78 177.11 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -59.72 121.88 61.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.476 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.7 159.77 52.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.36 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 48' ' ' LYS . 97.7 m -108.57 113.21 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.9 HG12 HG11 ' A' ' 80' ' ' VAL . 2.9 mp -91.69 118.11 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG3' HG22 ' A' ' 46' ' ' THR . 43.2 mtmt -138.4 126.6 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CB ' HD12 ' A' ' 57' ' ' LEU . 79.0 m95 -98.85 124.76 43.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -118.8 158.38 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.56 ' HB2' HD21 ' A' ' 57' ' ' LEU . 47.1 tttt -121.44 120.1 33.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.68 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 5.2 ptpp? -57.5 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -76.11 46.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CG ' ' A' ' 53' ' ' LYS . 9.0 mt -76.09 -175.26 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -148.37 115.49 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 51' ' ' LYS . 10.2 mt -90.18 167.35 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.0 62.11 6.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -71.99 -47.61 50.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.07 158.92 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -82.45 61.03 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.9 42.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.46 159.02 38.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -38.51 -35.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -73.56 110.92 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -114.18 152.79 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -133.91 128.21 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -121.27 108.32 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.3 122.01 38.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -124.32 134.19 53.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.1 p80 -110.12 125.15 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -83.71 150.72 25.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.4 p -86.14 -44.34 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.34 -50.42 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -63.8 -48.13 78.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 74.67 34.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.32 133.65 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -92.48 108.22 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 m -94.27 108.42 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.9 HG11 HG12 ' A' ' 47' ' ' ILE . 25.8 m -109.72 140.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -137.66 129.05 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 tp -99.03 116.06 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.46 132.34 54.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.8 mt -127.11 128.71 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.55 16.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 58.82 49.3 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.9 m -61.82 147.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.584 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -136.22 163.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.669 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -56.29 -25.74 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.91 -11.49 83.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.02 -36.11 11.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 89' ' ' LEU . 4.3 ptt-85 -53.36 149.52 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.91 -112.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -148.56 150.47 33.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.668 ' CE1' HD12 ' A' ' 112' ' ' ILE . 87.9 m-85 -130.53 178.77 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -153.2 128.73 9.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD23 ' HE2' ' A' ' 15' ' ' PHE . 37.1 tp -105.9 113.77 27.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -92.11 138.43 31.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.1 t -148.78 109.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -121.88 149.26 43.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -133.27 -174.81 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 10.7 tptp -33.64 -58.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -131.27 -31.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.6 m -71.59 139.92 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 28.9 p -140.34 127.73 21.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.77 148.91 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.8 p -149.81 138.13 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.9 t -112.04 155.68 23.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.43 133.15 8.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.3 p90 -127.11 165.78 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -134.55 131.98 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.668 HD12 ' CE1' ' A' ' 95' ' ' TYR . 61.4 mt -111.77 151.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.75 140.23 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 92' ' ' ARG . 97.9 t -119.6 93.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.44 130.33 42.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -88.62 157.43 49.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.8 Cg_endo -69.74 155.6 65.58 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -174.64 141.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -113.14 26.95 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 37.05 -148.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -60.83 112.52 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -148.48 148.68 30.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.99 -121.55 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.4 43.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.35 158.63 15.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -91.7 156.35 42.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 135.9 31.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -125.23 -13.16 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.26 151.22 22.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.548 HG11 HD21 ' A' ' 41' ' ' LEU . 94.4 t -67.54 -39.94 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.6 m-85 -77.02 92.18 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.81 -30.76 64.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -151.28 128.75 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -93.58 148.56 35.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.7 . . . . 0.0 110.939 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.62 4.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -84.63 138.63 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 p -50.06 133.26 23.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 31.0 m -119.59 120.99 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -85.34 113.32 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 30' ' ' ALA . 1.9 m -118.05 163.2 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -108.27 137.34 46.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.2 m -43.63 135.2 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.27 1.03 82.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.809 ' O ' HG22 ' A' ' 87' ' ' VAL . 48.0 mmtt -105.48 -177.56 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.5 121.52 44.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -89.27 147.85 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.06 129.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.55 147.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.73 135.89 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.16 132.69 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.37 156.85 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -141.28 123.2 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.61 121.92 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.04 -34.16 15.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -55.79 -58.46 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -51.8 -41.24 61.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD21 HG11 ' A' ' 14' ' ' VAL . 60.4 mt -70.49 143.62 90.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -45.25 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 9.7 t0 -135.69 -176.57 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -60.77 123.41 74.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.9 Cg_endo -69.8 162.77 40.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -104.45 112.83 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -85.87 119.08 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -151.22 125.27 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' PHE . 82.1 m95 -99.59 136.48 39.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.98 162.79 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.5 tttt -118.43 114.58 23.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.16 -92.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.4 ttpt -54.96 176.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.64 48.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.6 148.85 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -114.02 113.36 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD22 ' CE2' ' A' ' 65' ' ' PHE . 71.1 mt -70.92 -74.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.12 177.96 26.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 67' ' ' PHE . 17.6 m -130.24 126.28 36.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -100.31 28.01 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m 52.04 36.97 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.43 -51.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.95 160.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -66.54 -13.8 61.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' HD22 ' A' ' 57' ' ' LEU . 24.6 m-85 -80.2 121.82 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -138.32 159.84 41.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD1' ' CD1' ' A' ' 49' ' ' TRP . 3.1 m-85 -144.26 117.61 9.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -108.69 128.26 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -117.87 135.16 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -112.76 102.54 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.86 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -96.85 156.33 16.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -100.24 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.7 -74.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -59.78 -25.2 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 61.4 42.98 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.91 150.17 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -110.58 113.48 26.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.6 m -103.69 110.47 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 m -109.69 139.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -132.47 135.35 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 84' ' ' ILE . 27.9 tp -98.14 120.62 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -112.66 122.02 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.505 HD11 HD21 ' A' ' 82' ' ' LEU . 65.4 mt -125.07 102.69 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 152.06 30.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.0 mttp 53.48 53.01 12.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.2 m -61.07 165.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.5 m -150.7 165.02 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' CD ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -54.37 -28.19 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.34 -21.68 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -79.61 -34.44 40.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CD ' HD13 ' A' ' 89' ' ' LEU . 3.7 ptt-85 -58.2 147.72 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.26 -112.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 2.7 t80 -150.16 146.14 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.474 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 81.1 m-85 -128.1 170.31 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -138.29 130.94 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 tp -109.52 121.86 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -98.94 141.8 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 45' ' ' PRO . 98.7 t -146.85 111.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -138.94 130.78 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -101.97 -75.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -121.31 -70.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.34 -19.6 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.8 m -81.83 128.32 33.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 22.8 p -119.64 120.05 35.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.5 OUTLIER -137.95 134.37 34.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.2 p -139.39 154.41 47.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m -152.4 135.96 16.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 169.16 13.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.0 p90 -144.73 166.99 23.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.28 136.8 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.65 147.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.48 128.02 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 92' ' ' ARG . 46.8 t -113.97 92.54 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.35 126.3 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -75.12 155.88 86.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.7 Cg_endo -69.77 159.9 51.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -99.84 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -153.6 176.18 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -114.53 3.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 t -128.77 -50.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p 44.92 41.96 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.74 -47.55 2.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.68 122.83 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -79.0 135.6 36.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -111.08 143.73 28.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.68 0.753 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 145.96 58.36 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -65.01 -54.68 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 126.81 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' HD1' ' A' ' 15' ' ' PHE . 1.8 p -55.29 -40.36 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' HD1' HG13 ' A' ' 14' ' ' VAL . 4.1 m-85 -70.19 97.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.76 -33.26 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -149.6 128.85 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -92.89 152.92 41.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.516 0.674 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 102.14 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.73 142.61 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -55.59 142.87 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 m -130.89 125.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -92.1 118.33 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 87' ' ' VAL . 1.7 m -120.91 167.4 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -114.12 137.59 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.513 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -40.24 125.27 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.32 -3.05 63.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.91 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.1 mmmt -98.88 175.7 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.36 120.95 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 153.86 23.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.5 t -143.42 132.42 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.15 116.0 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 151.52 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.82 124.65 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -98.53 143.38 29.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -131.38 123.25 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.79 111.37 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.51 -45.05 30.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -49.08 -47.55 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.77 -40.26 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD23 HG21 ' A' ' 104' ' ' THR . 8.1 mt -79.73 141.51 55.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.76 3.12 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.53 -178.29 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -66.55 124.13 87.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.74 164.65 33.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -102.74 113.24 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 80' ' ' VAL . 20.3 mm -88.99 115.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 97' ' ' LEU . 40.3 mttp -141.66 123.92 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CE3' HD22 ' A' ' 82' ' ' LEU . 96.6 m95 -100.32 117.68 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CG ' ' HA ' ' A' ' 54' ' ' TRP . 60.5 m-85 -110.04 145.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.873 ' HB2' HD11 ' A' ' 57' ' ' LEU . 19.0 ttmt -111.75 88.93 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.74 -92.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -99.7 87.55 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' LYS . 45.8 p-90 31.64 38.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 51' ' ' LYS . 7.4 mt -78.27 99.75 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.31 106.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.873 HD11 ' HB2' ' A' ' 51' ' ' LYS . 94.9 mt -85.63 -176.92 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' SER . . . 129.97 -178.94 17.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' GLY . 19.2 m -36.33 -49.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.413 . . . . 0.0 110.859 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -44.97 -48.26 11.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -72.44 -37.59 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.39 136.48 2.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -22.94 35.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.071 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -61.16 -31.22 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 57' ' ' LEU . 65.7 m-85 -71.58 106.35 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -115.7 144.53 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -125.47 120.89 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -112.15 112.86 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -120.61 121.04 37.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -125.33 121.57 34.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -97.94 133.8 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.74 151.97 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -96.25 -27.01 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.29 -68.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.27 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 67.9 45.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -120.96 137.53 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -92.89 106.2 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.4 m -88.68 103.19 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 47' ' ' ILE . 34.4 m -109.68 131.51 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -126.01 155.9 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD22 ' CE3' ' A' ' 49' ' ' TRP . 13.7 tp -129.51 102.56 6.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -99.42 133.59 43.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -129.28 101.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.41 151.5 29.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 59.02 54.06 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.0 m -67.39 153.96 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.513 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.6 m -138.99 165.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.413 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.8 OUTLIER -57.16 -23.17 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -7.62 88.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -96.79 -31.98 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.2 ptt85 -57.53 145.85 32.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.49 -117.13 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 2.1 t80 -150.92 140.75 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.674 ' CE1' HD12 ' A' ' 112' ' ' ILE . 36.1 m-85 -116.58 -175.2 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -161.25 128.76 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' LYS . 50.4 tp -101.42 116.99 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.59 124.42 41.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 45' ' ' PRO . 67.0 t -139.82 114.72 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -126.56 143.54 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 100' ' ' LYS . . . -127.95 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -39.77 -68.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -128.16 24.87 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.471 HG21 HD23 ' A' ' 41' ' ' LEU . 98.3 m -138.03 116.53 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.2 t -125.77 131.84 52.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.66 138.87 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.9 p -136.88 151.02 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.8 t -138.8 136.14 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.25 150.38 18.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -129.29 -175.16 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -133.89 142.89 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.674 HD12 ' CE1' ' A' ' 95' ' ' TYR . 12.5 mt -130.32 137.63 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 135.38 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -118.49 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.27 135.42 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -77.22 160.3 76.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.2 Cg_endo -69.79 146.54 60.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -58.65 168.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -80.87 -58.77 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 -46.72 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -111.9 -60.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -71.5 112.71 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.21 -175.71 14.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.09 115.53 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.83 133.22 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.88 150.24 19.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.638 0.732 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.91 58.67 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.5 p -124.6 80.36 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.91 170.75 12.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 41' ' ' LEU . 96.2 t -93.48 -49.75 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.99 99.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.14 -41.46 92.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -139.12 128.78 24.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -94.27 151.36 39.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.79 155.52 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -69.52 129.24 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 22' ' ' VAL . 7.1 m -122.86 123.55 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.65 113.16 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.666 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -108.71 168.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.66 137.97 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -42.69 131.23 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.25 1.34 78.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.87 ' O ' HG22 ' A' ' 87' ' ' VAL . 19.6 mmmt -102.96 177.63 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.51 120.66 42.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -84.68 154.48 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.74 130.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 110' ' ' PHE . 63.2 t -123.09 136.56 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.64 129.68 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.38 124.97 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -101.77 155.87 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 77' ' ' VAL . 96.0 t -140.36 129.19 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 36.4 t-20 -71.85 108.2 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.14 -47.25 31.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.85 -49.71 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 38.4 mm-40 -50.9 -44.01 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 14' ' ' VAL . 6.6 mt -72.36 143.33 85.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -28.4 25.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.292 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -150.14 -178.16 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -63.57 120.75 65.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.5 41.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -100.83 112.77 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.608 HD12 HG11 ' A' ' 80' ' ' VAL . 27.2 mm -85.33 114.7 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -140.09 133.19 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.439 ' CE3' HD22 ' A' ' 82' ' ' LEU . 92.9 m95 -110.76 144.81 39.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -138.4 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.4 ttmt -127.34 96.29 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.08 -76.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.554 ' HE3' HD11 ' A' ' 55' ' ' LEU . 2.2 pttt -92.95 -174.95 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' LEU . 1.7 p90 -40.91 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD11 ' HE3' ' A' ' 53' ' ' LYS . 14.2 mt -33.74 107.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -101.62 131.07 48.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.85 155.37 18.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.82 -176.95 45.39 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 t -122.95 130.82 53.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -127.77 -59.75 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 t -128.22 45.88 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.03 67.0 1.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.44 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 91' ' ' ASP . 15.7 ptt180 -51.56 -31.44 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -76.63 104.9 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.8 m -115.9 137.77 51.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.5 m-30 -111.96 117.87 33.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -104.03 108.34 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.2 136.43 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -134.1 103.1 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -91.26 124.33 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.34 146.74 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 p -85.55 -39.64 17.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.53 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -59.97 -39.0 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 69.91 45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -124.02 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.16 110.59 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 m -98.37 100.1 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG11 HD12 ' A' ' 47' ' ' ILE . 32.6 m -101.93 137.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -132.58 138.0 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' CE3' ' A' ' 49' ' ' TRP . 25.3 tp -108.42 118.28 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -107.54 131.4 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.47 107.67 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.04 152.07 22.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt 55.55 47.64 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.87 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.1 m -55.1 150.4 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.14 159.97 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.46 -19.49 3.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.24 -21.45 54.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 64' ' ' ARG . 8.6 m-20 -80.28 -26.51 38.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.4 ptt85 -65.58 151.41 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.59 -110.86 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.4 t80 -150.45 143.56 24.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.661 ' CE1' HD12 ' A' ' 112' ' ' ILE . 49.3 m-85 -120.21 178.51 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -151.42 138.92 19.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.33 120.71 40.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -99.26 139.34 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -150.17 123.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -133.51 146.43 51.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 104' ' ' THR . . . -137.86 -176.45 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' ALA . 45.6 mttt -38.26 -71.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -125.0 29.01 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.493 HG21 HD23 ' A' ' 41' ' ' LEU . 87.7 m -143.56 123.45 13.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.67 129.49 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.99 153.79 37.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.3 p -140.83 152.79 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.8 t -146.23 136.78 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.1 163.34 13.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.61 ' HE2' HD11 ' A' ' 112' ' ' ILE . 7.4 p90 -140.43 179.81 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -130.48 137.83 49.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 95' ' ' TYR . 37.3 mt -123.96 144.14 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.7 129.08 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 92' ' ' ARG . 81.3 t -110.25 91.53 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.13 143.79 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.36 151.54 37.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 149.84 67.11 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -132.2 115.37 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -75.69 74.32 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.63 137.14 14.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -159.54 165.32 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -112.53 128.63 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -159.28 71.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 67.49 44.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -103.86 112.5 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.25 140.02 32.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.84 41.35 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 m -82.15 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.88 -161.63 10.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 40' ' ' GLU . 21.7 t -75.55 -37.31 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.87 97.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.31 -32.27 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -148.71 129.28 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -101.22 146.22 31.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.65 14.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.1 m-20 -94.49 132.62 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -40.49 137.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 20' ' ' ASP . 27.8 m -132.44 126.16 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.34 115.26 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -115.01 168.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -101.07 153.07 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 88' ' ' VAL . 2.7 m -60.19 136.59 58.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.81 -0.96 86.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.64 ' O ' HG22 ' A' ' 87' ' ' VAL . 64.6 mmtt -100.47 -175.03 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.25 121.0 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.16 148.81 26.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' A' ' 83' ' ' HIS . 95.6 t -136.5 126.13 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.81 118.52 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.46 139.1 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.05 129.1 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.64 156.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -139.89 125.77 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -74.08 121.86 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -44.43 7.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -47.85 -55.71 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HG22 ' A' ' 14' ' ' VAL . 8.2 mm-40 -48.91 -42.45 37.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 45' ' ' PRO . 18.6 mt -72.5 140.38 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -44.45 2.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.679 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 11.2 t0 -127.55 -175.62 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -64.09 121.17 70.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.8 159.83 51.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 m -116.18 112.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.776 HG12 HG11 ' A' ' 80' ' ' VAL . 2.8 mp -85.89 134.15 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -158.26 126.92 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.609 ' HB2' HD12 ' A' ' 57' ' ' LEU . 59.5 m95 -99.64 127.19 45.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.44 140.6 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -103.42 103.9 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.7 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.4 ttpt -52.46 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.33 48.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.72 178.31 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -142.92 108.77 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.689 HD22 ' CE1' ' A' ' 65' ' ' PHE . 51.8 mt -58.71 -50.82 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -34.42 129.53 0.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -144.19 -179.89 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -51.91 154.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -40.07 -35.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.36 93.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.32 150.57 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -12.31 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.689 ' CE1' HD22 ' A' ' 57' ' ' LEU . 70.0 m-85 -80.34 113.07 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -119.44 150.66 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -140.13 120.87 14.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -113.9 109.0 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -116.3 128.04 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -128.44 100.07 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -83.88 133.18 34.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.9 149.44 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -99.02 -9.65 23.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.24 -48.9 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -91.07 0.46 57.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 37.71 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.0 141.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -109.18 103.05 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -88.33 108.15 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.776 HG11 HG12 ' A' ' 47' ' ' ILE . 21.2 m -111.35 140.98 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.3 mp0 -135.97 126.72 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -100.62 108.77 20.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -105.94 130.9 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 87' ' ' VAL . 46.9 mt -126.32 105.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.22 155.61 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt 56.02 42.61 28.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 28' ' ' LYS . 6.3 m -56.06 167.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.665 ' HA ' HG23 ' A' ' 26' ' ' THR . 33.0 m -152.71 170.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.429 HD22 HG12 ' A' ' 114' ' ' VAL . 0.6 OUTLIER -58.76 -42.12 88.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.02 -21.94 56.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -77.52 -49.13 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.5 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.6 ptt-85 -43.94 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.77 -108.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -148.92 153.07 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.678 ' CE1' HD12 ' A' ' 112' ' ' ILE . 89.2 m-85 -137.95 171.4 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -150.18 132.76 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.42 117.62 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -97.93 133.07 42.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.88 112.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -137.36 129.89 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -98.35 -75.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -123.49 -71.33 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -113.67 -16.28 12.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 93.4 m -92.36 127.55 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.36 109.22 12.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.82 138.47 54.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 p -141.25 154.09 45.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.4 p -118.69 160.62 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -133.12 120.18 2.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 95' ' ' TYR . 52.6 p90 -132.21 164.76 25.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -125.49 151.29 46.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.678 HD12 ' CE1' ' A' ' 95' ' ' TYR . 31.5 mt -126.04 149.48 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.12 128.76 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 88' ' ' VAL . 86.3 t -112.68 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.87 132.04 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -76.38 157.45 82.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.167 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 54.1 Cg_endo -69.68 172.53 12.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.7 mtt-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 p -102.25 83.13 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -54.47 100.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.44 -47.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -113.3 144.24 43.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -89.4 83.14 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.99 -73.21 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 140.78 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -92.28 61.43 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -116.47 149.4 43.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 141.65 45.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -85.13 -12.81 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.95 174.76 41.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.723 HG23 ' HD1' ' A' ' 15' ' ' PHE . 27.7 m -119.06 -20.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.723 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -87.88 95.19 10.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.27 -37.11 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -142.74 130.03 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -95.51 149.37 36.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' ' 22' ' ' VAL . 12.5 m-20 -74.69 139.63 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 138.44 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' VAL . 33.8 m -133.62 117.76 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -93.54 106.18 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -101.01 168.27 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -100.11 137.26 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.456 ' OG1' HG12 ' A' ' 114' ' ' VAL . 11.1 m -46.15 137.04 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -7.48 77.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.973 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.7 mmtt -94.66 -175.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.99 125.48 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 24' ' ' VAL . . . -91.6 153.45 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -148.86 127.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' VAL . 71.8 t -115.92 153.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 53.6 t -127.82 128.8 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.87 125.63 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -105.32 155.01 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.86 119.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -72.03 108.62 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -72.07 -40.41 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -49.73 -55.74 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.303 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -53.61 -39.25 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.1 mt -74.85 141.24 75.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -42.69 3.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.64 -178.9 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -63.06 119.19 49.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.57 65.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -103.44 113.06 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 2.5 mp -89.25 128.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 70.5 mttt -149.36 123.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.454 ' HB3' HD12 ' A' ' 57' ' ' LEU . 91.8 m95 -93.01 115.99 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 95.2 m-85 -113.14 151.49 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -96.22 167.12 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -40.85 -34.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -91.8 -174.81 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -83.18 36.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -83.57 -176.54 6.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -149.19 107.42 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 49' ' ' TRP . 11.5 mt -76.42 167.48 21.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.24 46.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.0 m -122.35 -177.92 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -88.22 -6.78 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -83.44 -40.17 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.58 64.81 0.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.25 -54.71 19.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -38.8 -36.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.0 111.45 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 m -127.37 138.64 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.7 m-85 -115.62 120.0 37.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HD2' ' NE2' ' A' ' 83' ' ' HIS . 63.6 mttt -106.77 112.36 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 6.7 tm-20 -117.83 129.54 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -130.28 101.24 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 4.4 t-80 -84.1 134.92 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -102.54 153.18 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 t -99.56 -7.47 25.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.59 -60.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -71.94 -12.5 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.44 48.15 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.58 133.8 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 71' ' ' HIS . 30.8 m-85 -97.86 101.03 12.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 m -84.98 113.83 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 26.8 m -115.32 138.58 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -133.96 141.94 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.81 120.62 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' NE2' ' HD2' ' A' ' 68' ' ' LYS . 9.5 m-70 -112.97 129.26 56.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 mt -124.89 105.27 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.17 146.56 21.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 60.75 40.92 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.7 m -51.49 148.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' HA ' HG23 ' A' ' 26' ' ' THR . 30.5 m -137.29 167.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.676 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.4 mm? -59.9 -30.97 69.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.34 -17.48 74.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.26 -39.76 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.676 ' CD ' HD13 ' A' ' 89' ' ' LEU . 2.8 ptt85 -51.67 142.94 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.44 -111.74 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 95' ' ' TYR . 10.3 t80 -146.57 155.01 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' A' ' 112' ' ' ILE . 88.4 m-85 -142.58 152.25 42.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -123.53 138.35 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 15' ' ' PHE . 53.4 tp -113.74 112.68 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -91.85 137.62 32.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.41 109.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.15 151.58 38.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -130.82 -174.63 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' ALA . 27.0 tttt -32.91 -59.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.77 -31.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.4 m -73.3 146.44 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.1 p -140.58 129.95 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.4 148.62 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.2 p -150.34 139.12 20.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.1 t -119.59 160.95 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -135.45 143.65 15.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -131.51 176.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.2 m-20 -136.17 139.17 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 95' ' ' TYR . 34.4 mt -120.83 143.08 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -124.54 131.5 53.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 85.0 t -112.69 94.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.1 131.61 46.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.61 154.25 41.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 147.69 63.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -162.78 122.45 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -83.3 -58.39 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.802 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.38 -111.95 1.98 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -72.41 115.78 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -68.12 97.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.39 177.24 48.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 142.41 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.75 131.62 55.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.42 146.74 92.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.61 65.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 13' ' ' GLY . 9.0 t -112.73 -42.62 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 12' ' ' THR . . . -158.49 -161.6 11.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' HD1' ' A' ' 15' ' ' PHE . 26.8 m -104.82 -21.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.642 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.3 m-85 -89.0 86.42 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -46.44 -41.14 13.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -142.47 137.02 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -104.31 148.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.1 Cg_endo -69.79 101.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.516 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.21 137.65 45.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 p -47.5 134.08 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' VAL . 25.0 m -129.72 120.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -96.8 117.47 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 87' ' ' VAL . 1.4 m -115.94 168.36 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -94.19 149.58 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 88' ' ' VAL . 4.3 m -58.79 126.04 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.54 -7.31 61.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.4 mmmt -92.05 -175.78 4.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.92 122.17 46.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.8 21.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.0 t -149.17 125.09 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 33' ' ' VAL . 87.4 t -114.83 155.85 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 32' ' ' VAL . 69.7 t -132.54 135.05 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.72 126.59 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -99.48 151.09 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.35 110.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.77 110.25 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.22 -44.11 53.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -40.16 -52.69 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -57.34 -37.32 72.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 45' ' ' PRO . 38.0 mt -74.74 144.16 79.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.436 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.6 Cg_endo -69.73 -32.17 19.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -154.4 -178.73 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -52.22 121.87 22.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.8 -174.79 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.613 HG22 ' HG3' ' A' ' 48' ' ' LYS . 41.1 m -119.8 116.52 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.636 HD12 HG11 ' A' ' 80' ' ' VAL . 37.7 mm -93.96 117.33 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 46' ' ' THR . 61.4 mttt -146.83 130.89 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -112.47 114.13 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -107.18 150.81 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HB2' HD21 ' A' ' 57' ' ' LEU . 26.1 tttm -106.09 88.22 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.55 37.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -174.28 -175.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -74.71 -4.98 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.02 144.48 39.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -118.76 96.77 5.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 51' ' ' LYS . 34.6 mt -52.06 175.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.57 136.58 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.582 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 43.9 t -84.0 82.54 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.853 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -88.85 -49.54 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.5 p -119.72 40.96 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.56 79.98 1.09 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 59' ' ' SER . . . -122.36 144.17 49.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' H ' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -67.67 -5.49 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -87.49 106.26 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m -120.95 141.3 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -113.93 138.91 49.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -121.33 109.34 14.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' CD ' ' N ' ' A' ' 70' ' ' SER . 3.3 tp10 -125.78 130.82 52.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.512 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 3.1 m -132.44 109.38 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.494 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 29.3 t60 -86.53 122.95 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 73' ' ' SER . 25.1 t-20 -98.3 152.94 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 15.6 t -88.38 -71.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.49 23.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -67.81 -47.26 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.438 ' O ' ' ND2' ' A' ' 76' ' ' ASN . 0.1 OUTLIER 73.25 40.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -126.45 137.81 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.494 ' CE2' ' HB2' ' A' ' 71' ' ' HIS . 24.8 m-85 -99.73 107.32 19.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 m -89.76 96.36 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 47' ' ' ILE . 35.0 m -99.19 131.58 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -133.31 144.44 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.3 tp -110.94 125.86 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -116.96 136.33 53.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -133.84 123.32 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.2 18.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 55.91 48.37 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.4 m -59.18 147.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -135.98 164.21 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.667 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -53.77 -38.07 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.42 57.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -93.54 -29.47 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.667 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.5 ptt85 -62.85 147.25 50.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 -114.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.4 OUTLIER -144.52 149.67 36.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.947 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.48 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 52.6 m-85 -132.0 173.15 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -147.92 145.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.69 117.25 26.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -94.13 127.93 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -139.0 110.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.04 132.7 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.88 -73.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 76.1 mttt -126.68 -75.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -107.8 -17.89 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.9 m -90.09 127.68 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.0 t -133.93 112.47 11.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.51 114.2 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.8 p -120.32 139.05 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.09 162.53 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -137.25 125.29 3.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.442 ' C ' ' OD1' ' A' ' 111' ' ' ASN . 30.4 p90 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 m120 -137.71 140.49 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' A' ' 95' ' ' TYR . 35.3 mt -117.26 146.06 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.82 126.14 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ARG . 96.0 t -107.16 99.06 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.91 125.56 29.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.88 150.29 68.79 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.19 67.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -112.62 167.92 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -114.65 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -65.27 109.66 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -155.4 167.62 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.49 92.68 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.05 45.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.62 133.38 50.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -104.78 151.53 39.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.9 61.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.5 p -91.02 -60.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.06 -169.26 11.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.839 HG21 ' OD2' ' A' ' 106' ' ' ASP . 23.8 m -72.48 -23.98 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.676 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -90.43 89.09 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.76 -34.65 12.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -141.15 131.61 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 145.36 30.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.679 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' VAL . 22.3 m-20 -82.01 148.64 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 p -53.29 135.98 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.7 m -133.56 117.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -95.14 112.93 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.7 m -110.27 168.4 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -101.77 139.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -46.35 138.51 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.48 -6.6 79.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.793 ' O ' HG22 ' A' ' 87' ' ' VAL . 1.1 mmmp? -95.1 -176.76 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.67 121.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 146.0 25.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.97 128.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.89 135.02 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.28 135.23 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -155.59 149.28 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -125.81 157.94 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.09 124.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -75.0 102.37 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.51 74.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -45.46 -42.2 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.74 -30.06 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.3 mt -85.96 142.59 36.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.82 -44.53 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.85 -176.28 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.48 123.14 60.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 157.32 60.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -96.14 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 80' ' ' VAL . 33.9 mm -91.8 121.69 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -154.26 130.27 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CE3' HD22 ' A' ' 82' ' ' LEU . 79.3 m95 -105.25 120.03 40.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.95 157.92 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 28.9 tttt -117.03 107.82 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.18 -93.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LYS . 6.5 ttmt -52.93 -176.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.756 0.312 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -80.92 43.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.48 158.14 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -120.91 125.56 47.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -96.96 174.96 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.7 144.88 10.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 t -162.63 173.8 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 12.5 ttmt -93.09 -46.62 7.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 30.3 t -37.89 -56.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.52 72.06 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.83 167.78 12.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.58 -27.77 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 59.5 m-85 -73.68 103.95 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 m -118.26 138.7 52.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.8 m-30 -113.05 132.32 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -118.43 108.9 15.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -117.53 123.5 46.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.407 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 2.7 m -130.03 114.5 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -94.28 135.69 35.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -97.68 148.67 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.5 p -89.1 -22.69 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 -71.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 m -63.92 -20.1 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 55.92 44.48 25.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.5 p -121.81 136.39 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.49 109.19 20.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.1 m -86.93 99.16 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 HD12 ' A' ' 47' ' ' ILE . 24.2 m -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -140.99 131.09 24.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 ' CE3' ' A' ' 49' ' ' TRP . 23.9 tp -102.46 120.86 41.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.31 135.84 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.65 115.07 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.77 146.26 18.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 64.25 42.38 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -53.07 139.63 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.18 161.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.41 -32.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.63 -29.89 72.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -27.51 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -69.21 134.37 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.45 -108.45 0.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.3 t80 -144.57 150.69 37.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 76.9 m-85 -138.74 172.4 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -156.51 146.04 20.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 tp -120.14 117.99 29.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.67 136.12 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 45' ' ' PRO . 91.7 t -146.96 114.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -144.29 131.32 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . . . -96.58 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 18.1 mmtp -131.85 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -125.97 19.77 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.8 m -125.2 82.67 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.14 126.84 33.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.839 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.37 123.4 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.1 p -131.49 153.83 49.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.77 157.08 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -130.44 129.66 5.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 2.4 p90 -127.4 -178.62 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.99 132.03 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.37 147.2 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.74 126.14 46.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.31 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.15 141.62 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.86 154.34 52.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.79 63.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -127.52 -54.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 p -69.42 128.35 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.59 143.41 20.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 39.6 t -134.69 150.9 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.5 p -34.87 138.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.07 102.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.35 162.61 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.721 0.296 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -130.45 130.48 44.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.22 154.08 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.29 39.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.8 m -92.44 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.68 -156.46 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.678 HG23 ' HD1' ' A' ' 15' ' ' PHE . 31.3 m -67.03 -21.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.174 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.1 m-85 -94.11 97.53 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 77' ' ' VAL . 12.4 mt -57.32 -32.61 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -150.22 131.06 14.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -97.81 151.41 37.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.518 0.675 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 110.96 2.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.7 137.39 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.2 p -46.52 123.42 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.9 134.45 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.3 p -98.98 124.4 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -129.94 164.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -107.56 144.61 34.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.412 ' HG1' ' HA ' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -49.75 134.41 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.16 -6.33 83.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 1.003 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.4 mmtm -96.0 -178.3 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.58 125.38 53.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.74 154.83 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -148.74 127.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.6 143.33 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.24 130.6 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.39 130.11 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -105.29 154.26 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -139.4 121.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.22 110.41 8.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -33.04 54.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.3 -42.87 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.49 -26.6 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 45' ' ' PRO . 7.0 mt -93.21 146.94 32.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.43 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -127.67 175.61 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -56.21 119.55 28.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.554 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.75 165.54 30.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.2 m -111.88 112.79 24.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.6 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -86.7 125.45 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.4 mtpt -141.4 130.25 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 88.2 m95 -104.21 131.19 51.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -132.47 138.09 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.659 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.3 ttmt -107.34 101.83 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.43 -91.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HG2' ' CD1' ' A' ' 54' ' ' TRP . 8.2 ttpt -56.28 178.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.498 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -75.9 48.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -93.95 160.89 14.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -122.66 102.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 51' ' ' LYS . 15.4 mt -72.17 -31.11 65.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.553 ' HA2' ' CZ ' ' A' ' 67' ' ' PHE . . . -34.33 151.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -71.84 66.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.4 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -127.44 -28.79 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -132.32 16.02 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.83 135.29 3.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.94 -40.63 31.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 69.0 m-85 -75.19 99.92 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -105.89 139.68 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.553 ' CZ ' ' HA2' ' A' ' 58' ' ' GLY . 4.7 m-85 -135.14 123.09 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -110.75 117.28 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.888 ' OE2' HG12 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -97.52 135.61 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -134.35 106.59 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -100.48 116.29 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 11.5 m120 -85.08 156.98 20.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.0 p -93.0 -52.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.31 -52.54 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.3 m -70.63 -29.15 65.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.36 44.68 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' CG2' HD12 ' A' ' 16' ' ' LEU . 9.9 p -122.47 143.14 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -100.58 107.83 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -95.8 102.57 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.888 HG12 ' OE2' ' A' ' 69' ' ' GLU . 12.6 m -102.73 132.36 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -121.18 129.08 53.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.492 HD13 ' CE2' ' A' ' 67' ' ' PHE . 8.1 tp -101.75 109.03 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -107.27 122.29 46.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -115.08 138.59 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.53 148.5 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.1 mttt 60.91 49.91 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -60.12 135.79 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.38 164.9 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.539 HD13 ' HD3' ' A' ' 92' ' ' ARG . 2.3 mm? -56.94 -22.11 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.42 -12.57 84.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -89.77 -44.23 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.79 0.329 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.539 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.9 ptt85 -46.79 147.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.32 -114.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.97 148.92 41.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.726 ' CE1' HD12 ' A' ' 112' ' ' ILE . 57.8 m-85 -131.39 167.41 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -145.78 136.41 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD11 HG23 ' A' ' 47' ' ' ILE . 38.9 tp -113.5 117.33 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.19 134.25 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 45' ' ' PRO . 53.5 t -140.63 109.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -134.64 145.27 48.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 -75.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.69 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.78 -16.89 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.2 m -90.45 133.02 35.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.84 118.54 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.02 148.0 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -147.55 143.97 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.8 t -110.17 162.34 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -138.25 125.96 3.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -119.51 -175.15 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -141.08 132.22 26.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.726 HD12 ' CE1' ' A' ' 95' ' ' TYR . 14.4 mt -112.04 146.49 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.64 130.75 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.02 100.97 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.81 145.26 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.412 ' HA ' ' HG1' ' A' ' 26' ' ' THR . . . -96.55 154.53 38.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.717 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 153.83 68.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -103.45 111.37 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -38.6 133.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.68 76.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -114.24 166.14 11.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -147.74 116.26 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.13 -94.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.87 178.26 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -107.18 128.76 54.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.09 148.73 38.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -78.17 -56.53 4.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.36 -173.78 19.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.69 HG21 HD21 ' A' ' 41' ' ' LEU . 10.3 p -68.49 -30.73 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' HD1' HG13 ' A' ' 14' ' ' VAL . 5.5 m-85 -81.26 97.52 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.98 -32.12 73.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 2.2 tmtp? -137.29 129.12 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 13.0 mttm -102.97 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 101.52 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.45 141.67 48.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -57.17 124.95 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' VAL . 14.0 m -111.85 117.41 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -83.41 129.45 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 m -137.96 168.14 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.53 152.38 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.451 HG23 ' HA ' ' A' ' 88' ' ' VAL . 23.5 m -53.99 130.9 39.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 -8.43 77.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 87' ' ' VAL . 61.1 mmtt -88.62 -175.06 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -114.62 124.71 52.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 149.12 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.44 ' O ' HG11 ' A' ' 22' ' ' VAL . 21.7 t -138.75 129.87 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.72 116.21 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.76 148.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.91 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 17' ' ' LYS . 58.3 mttt -138.33 154.05 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.19 124.42 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.09 111.72 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -73.22 -42.72 41.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.87 -53.56 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.295 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.32 -30.26 59.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.69 HD21 HG21 ' A' ' 14' ' ' VAL . 10.9 mt -88.5 142.34 31.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -38.17 7.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -139.82 -175.38 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -60.06 119.87 45.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.8 161.55 45.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.286 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -105.93 112.72 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.931 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -87.62 132.09 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.883 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.3 mtpt -147.08 139.48 24.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.62 ' CE3' HD22 ' A' ' 82' ' ' LEU . 85.8 m95 -115.51 121.41 42.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.4 154.31 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' LYS . 23.8 ttmt -120.02 93.97 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.34 -88.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.8 ttmm -55.42 -174.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.86 4.02 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -52.51 150.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -128.15 115.36 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 49' ' ' TRP . 1.7 mt -80.18 -175.76 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.95 -173.18 36.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -128.18 139.21 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 24.36 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t 71.02 28.27 3.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.41 64.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.38 150.18 31.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 7.8 ptp180 -48.6 -32.05 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 67.5 m-85 -77.12 117.77 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.7 m -123.71 126.48 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 8.0 m-85 -113.87 121.52 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -117.7 108.07 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -106.3 124.72 50.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 69' ' ' GLU . 37.8 m -109.59 108.38 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.423 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -88.83 112.57 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -97.45 155.56 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.5 t -102.95 -58.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -68.01 -20.73 65.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 53.97 49.98 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.87 134.13 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -93.2 121.89 35.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 m -107.77 108.43 19.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.931 HG11 HG12 ' A' ' 47' ' ' ILE . 32.9 m -104.49 139.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -129.48 136.17 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD22 ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -118.17 108.57 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -106.78 137.7 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -130.09 111.41 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -88.98 148.32 20.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 32.1 mtmt 60.77 54.17 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -63.32 157.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -144.23 167.37 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.521 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.7 OUTLIER -55.77 -32.44 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.54 -9.54 74.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.02 -38.94 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.521 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.6 ptt85 -56.38 144.21 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -111.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 1.3 t80 -154.75 146.75 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD12 ' A' ' 112' ' ' ILE . 64.9 m-85 -125.64 179.97 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -149.92 132.65 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 48' ' ' LYS . 68.0 tp -113.07 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -92.42 139.79 30.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 53.6 t -139.04 120.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -147.31 151.5 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.09 -73.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -127.28 -75.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -111.19 -7.42 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.6 m -100.22 128.82 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.62 108.25 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.07 153.41 46.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 p -148.75 157.2 43.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 72.0 m -153.33 121.78 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.81 157.88 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.477 ' N ' ' CD1' ' A' ' 110' ' ' PHE . 1.4 p90 -129.93 -175.0 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -139.16 135.8 34.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.673 HD12 ' CE1' ' A' ' 95' ' ' TYR . 48.0 mt -123.38 150.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -126.17 141.16 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 26' ' ' THR . 90.9 t -125.12 91.64 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -79.43 118.77 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.739 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -75.22 164.81 58.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.739 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.6 Cg_endo -69.75 157.08 61.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -95.09 171.48 8.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -94.74 142.5 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.83 160.7 25.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -156.79 141.55 16.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -71.11 158.52 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 -129.57 2.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.65 -176.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -127.08 112.01 14.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 13.3 tt0 -123.62 143.44 41.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.706 0.765 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.73 143.87 52.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -42.76 -57.19 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.02 178.78 19.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 41' ' ' LEU . 81.8 t -74.52 -43.07 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 99' ' ' VAL . 5.2 m-85 -71.64 100.54 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -137.77 131.19 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -102.83 145.55 30.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.92 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 22' ' ' VAL . 64.5 m-20 -79.09 129.0 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 m -37.51 133.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 22' ' ' VAL . 35.4 m -123.32 121.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -87.06 113.69 23.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -117.24 167.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.99 139.45 47.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -47.14 136.03 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.92 84.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.84 ' O ' HG22 ' A' ' 87' ' ' VAL . 34.7 mmtm -98.11 -175.86 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.55 120.89 41.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.4 148.17 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.61 124.65 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.83 143.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.25 136.76 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -163.37 145.41 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -120.6 161.44 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -141.75 122.01 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -73.65 111.43 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -74.77 -53.5 6.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 24.8 mtpt -35.05 -69.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -39.97 -44.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 45' ' ' PRO . 29.1 mt -67.03 143.54 97.97 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.5 Cg_endo -69.68 -49.05 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.647 ' C ' ' HB1' ' A' ' 101' ' ' ALA . 5.5 t70 -125.52 -175.66 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -63.1 119.65 54.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 148.18 64.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -107.59 112.86 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 97' ' ' LEU . 4.1 mp -93.73 130.3 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -143.99 123.65 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.592 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 87.8 m95 -89.87 113.59 25.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.29 153.17 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.631 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.8 ttmm -109.64 91.26 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.31 -90.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' LYS . 28.3 mtmt -52.5 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -80.23 43.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.75 157.58 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -124.72 115.96 21.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD21 ' HB2' ' A' ' 51' ' ' LYS . 29.7 mt -69.99 -69.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.31 -162.86 12.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.523 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -115.16 154.37 29.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 28.6 tptt -129.66 157.54 41.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 m -45.09 -23.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.11 55.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . . . -99.79 148.03 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -12.12 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -78.16 109.89 12.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -119.01 135.43 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.592 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 7.6 m-85 -120.21 130.32 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -118.77 107.82 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.85 118.36 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -110.05 102.68 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -93.2 120.87 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 27.7 m-80 -96.87 154.6 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.0 p -100.05 -12.7 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.78 -64.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' ASN . 2.1 m -70.96 -1.98 13.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.454 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m120 35.93 51.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.18 135.21 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -102.22 102.48 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.2 m -88.49 113.89 24.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.36 144.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.98 123.92 16.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 84' ' ' ILE . 25.0 tp -94.81 120.72 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -114.39 116.43 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 82' ' ' LEU . 49.4 mt -116.99 124.48 73.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.18 151.7 17.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp 56.51 43.18 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -52.72 140.49 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.56 160.27 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.9 mm? -49.68 -34.02 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -26.97 71.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.827 ' OD2' HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -70.42 -36.19 73.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.426 ' HD3' HD13 ' A' ' 89' ' ' LEU . 5.6 ptt-85 -59.89 139.46 57.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.424 ' O ' ' ND2' ' A' ' 111' ' ' ASN . . . 156.86 -95.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.8 t80 -165.35 144.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.1 m-85 -125.53 178.97 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.953 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -151.68 143.21 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 47' ' ' ILE . 30.5 tp -121.13 119.5 32.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -97.95 139.22 34.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 15' ' ' PHE . 47.4 t -139.49 117.05 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -147.53 132.57 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 43' ' ' ASP . . . -113.19 -75.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 13.6 tptp -115.17 -69.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -16.43 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.5 m -80.41 135.38 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.1 p -135.14 104.92 6.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.45 148.47 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 p -148.88 152.67 36.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.6 p -120.48 157.91 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.15 121.24 2.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -124.42 175.92 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 93' ' ' GLY . 11.0 t-20 -133.92 140.9 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 95' ' ' TYR . 19.0 mt -121.04 146.41 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.94 135.2 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.827 HG21 ' OD2' ' A' ' 91' ' ' ASP . 72.4 t -118.86 102.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.3 135.46 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.08 154.43 39.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.03 64.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' 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 full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -110.01 118.54 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -100.03 110.48 22.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.15 173.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -119.59 108.15 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -146.7 111.74 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 102.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.04 125.8 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -139.56 150.46 45.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -83.43 151.81 62.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -174.46 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 m -74.77 -70.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.7 -153.44 17.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' HD1' ' A' ' 15' ' ' PHE . 15.5 m -88.34 -24.62 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.4 m-85 -101.52 92.63 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.23 -36.06 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -147.79 133.59 19.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -104.19 150.92 38.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 121.21 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.11 131.65 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.7 p -42.59 123.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -111.8 135.56 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -101.17 115.52 30.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 m -120.92 165.4 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.86 148.76 23.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 88' ' ' VAL . 9.8 m -58.14 127.56 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 12.33 57.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HG22 ' A' ' 87' ' ' VAL . 21.1 mmmt -113.23 -176.6 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -108.02 120.67 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.31 148.85 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.63 141.22 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 89.5 t -136.24 133.76 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.6 132.39 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.91 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -108.97 155.82 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -139.94 120.87 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -72.57 111.71 7.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -70.86 -50.85 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -38.04 -58.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -48.33 -41.7 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.4 mt -74.12 140.51 76.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -42.12 3.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.301 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -139.28 177.78 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -49.28 120.52 10.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.73 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -106.93 112.95 26.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.775 HD12 HG11 ' A' ' 80' ' ' VAL . 25.9 mm -90.68 111.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 6.6 mtpp -148.04 137.62 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.758 ' CE3' HD22 ' A' ' 82' ' ' LEU . 76.7 m95 -109.33 156.29 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 79.7 m-85 -152.63 160.41 43.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -120.95 108.47 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 37.15 -91.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.95 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -82.78 24.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.3 -177.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -149.58 118.41 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.929 HD22 ' CE1' ' A' ' 65' ' ' PHE . 16.9 mt -79.36 -65.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -33.71 114.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -159.84 158.2 30.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -88.13 -19.67 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -74.78 -43.32 55.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.09 140.52 16.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.06 -42.72 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -38.4 -43.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.929 ' CE1' HD22 ' A' ' 57' ' ' LEU . 84.0 m-85 -71.06 99.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.2 m -107.54 145.65 32.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -131.88 120.52 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -120.63 112.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.37 120.72 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -126.0 124.22 40.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -102.76 136.71 42.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -92.65 152.13 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -86.97 -34.12 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -59.29 -38.11 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 68.56 45.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.26 136.28 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.28 103.11 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 m -83.08 105.3 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.775 HG11 HD12 ' A' ' 47' ' ' ILE . 26.2 m -105.47 142.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -134.71 145.54 48.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.5 tp -120.95 105.93 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.19 129.18 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.5 mt -125.29 111.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.02 156.15 26.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt 56.34 49.96 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.7 m -66.83 137.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -127.7 167.71 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.76 -27.73 43.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.18 -23.54 77.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' ARG . 38.6 m-20 -78.21 -55.85 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 5.4 ptt85 -35.75 145.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.26 -111.5 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.505 ' HB2' ' ND2' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -148.09 153.33 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 112' ' ' ILE . 29.7 m-85 -140.1 178.09 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.16 140.07 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.89 120.75 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -91.7 130.51 37.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -141.98 109.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -143.91 118.16 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.62 -71.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -126.7 -66.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.99 -28.61 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.6 m -73.76 121.72 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.6 112.51 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.528 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -137.35 131.46 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.0 p -139.54 143.06 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.3 t -107.72 160.37 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.54 119.15 2.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 13.0 p90 -117.75 -179.75 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.505 ' ND2' ' HB2' ' A' ' 94' ' ' TYR . 7.5 m120 -143.78 133.49 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 95' ' ' TYR . 62.3 mt -111.85 154.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.8 t70 -129.11 137.92 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.53 HG12 ' OG1' ' A' ' 26' ' ' THR . 60.7 t -120.5 92.5 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.65 125.0 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.56 154.27 93.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 179.96 3.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.434 -0.267 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -133.76 119.67 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -119.54 80.95 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.59 44.32 97.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -56.33 147.45 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -108.13 151.84 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 95.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.45 107.18 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -126.14 169.49 12.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -78.55 144.89 66.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 128.35 15.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.327 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -74.84 -42.67 57.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.3 164.61 10.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 41' ' ' LEU . 60.9 t -91.07 -41.46 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.515 ' HE2' HD23 ' A' ' 97' ' ' LEU . 3.3 m-85 -74.59 88.89 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.54 -31.12 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -150.66 128.75 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.1 mppt? -100.32 148.89 35.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.82 4.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.61 146.57 27.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 p -53.07 124.43 14.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.63 129.74 73.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -97.9 133.64 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.15 165.73 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -110.81 143.28 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.27 133.01 16.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 2.5 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' O ' HG22 ' A' ' 87' ' ' VAL . 17.1 mmtp -106.5 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.49 123.73 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.96 147.38 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.99 134.79 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.75 145.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.41 136.98 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.08 131.37 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -112.45 152.86 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -133.29 126.07 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.46 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.11 -42.92 34.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -49.71 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.714 0.293 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -48.12 -30.45 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 14' ' ' VAL . 28.5 mt -82.89 145.47 50.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.0 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -143.11 -178.63 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -56.39 121.2 41.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.5 Cg_endo -69.79 -176.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -124.85 113.34 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.873 HG12 HG11 ' A' ' 80' ' ' VAL . 3.8 mp -92.11 116.9 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -143.99 124.45 13.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 64.1 m95 -100.68 127.46 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -117.17 140.85 49.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' LYS . 69.8 tttt -104.79 109.61 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.07 -91.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' LYS . 7.9 ttmt -51.76 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.83 22.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.92 173.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -139.24 127.91 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 49' ' ' TRP . 6.9 mt -99.43 169.63 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 67' ' ' PHE . . . 128.75 142.92 5.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -167.97 149.33 5.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -112.64 -40.16 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.5 p -57.77 -48.81 78.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.2 125.41 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.75 160.82 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -37.82 -38.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -80.03 96.47 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 m -107.63 123.07 47.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 37.5 m-85 -108.32 125.91 52.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -114.04 110.08 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -114.8 118.72 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -121.64 109.18 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 3.5 p80 -89.04 127.82 35.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -85.9 155.16 21.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.4 p -95.55 -45.36 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.58 -67.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -66.05 -29.25 69.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.8 t30 65.62 37.7 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.62 141.84 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.23 124.13 42.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.446 HG22 ' OE1' ' A' ' 81' ' ' GLU . 46.2 m -107.15 107.3 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.873 HG11 HG12 ' A' ' 47' ' ' ILE . 30.1 m -108.79 137.65 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' OE1' HG22 ' A' ' 79' ' ' THR . 2.1 mp0 -137.03 130.02 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 tp -99.42 119.99 38.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -117.83 133.25 56.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.3 mt -130.69 126.16 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.45 155.92 21.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp 51.36 43.86 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -44.83 142.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.18 158.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.03 -33.48 18.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.79 -24.78 75.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -27.74 62.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -66.37 139.53 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.71 -112.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -151.91 155.06 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.934 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 47.6 m-85 -133.08 171.93 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -140.09 132.01 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.515 HD23 ' HE2' ' A' ' 15' ' ' PHE . 58.0 tp -109.19 114.48 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -93.27 136.37 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 92.3 t -143.31 116.4 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -143.31 130.31 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.47 -75.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -127.88 -74.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.3 -19.96 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 87.1 m -85.5 136.47 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.44 117.81 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -141.45 143.28 33.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.1 p -149.66 141.76 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.8 m -133.07 140.78 47.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -116.45 153.01 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.1 p90 -125.61 179.27 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -131.16 128.26 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.3 mt -116.88 148.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.37 140.26 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.7 t -123.31 96.05 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.25 131.62 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.45 151.15 52.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 161.92 44.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.374 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -89.11 -50.57 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -135.96 127.8 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.47 -71.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -131.75 132.45 43.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -124.22 92.49 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.18 123.47 0.8 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.25 132.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -91.08 136.75 32.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -121.42 143.69 38.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 125.35 12.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.3 m -96.83 -45.56 6.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.15 -175.51 36.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 41' ' ' LEU . 58.0 t -54.56 -40.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -71.12 87.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.38 -43.52 64.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -133.01 131.22 40.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -101.74 143.36 26.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' HG13 ' A' ' 22' ' ' VAL . 25.2 m-20 -94.39 137.61 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 t -43.2 145.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 20' ' ' ASP . 21.9 m -139.66 121.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 117.08 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.7 m -117.73 168.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -96.7 135.43 38.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.675 ' OG1' HG12 ' A' ' 114' ' ' VAL . 29.4 m -46.19 133.13 9.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.7 -14.11 65.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.77 ' O ' HG22 ' A' ' 87' ' ' VAL . 16.5 mmtp -89.57 -175.41 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -112.48 120.71 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.69 153.91 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' NE2' ' A' ' 83' ' ' HIS . 91.1 t -144.11 135.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 83.7 t -128.5 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -110.05 135.52 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.02 124.79 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -107.71 154.32 21.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 41' ' ' LEU . 84.4 t -133.22 127.3 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' O ' HD12 ' A' ' 41' ' ' LEU . 16.9 t-20 -71.57 117.48 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.28 -48.97 7.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -49.31 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -42.14 -46.83 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD21 HG11 ' A' ' 14' ' ' VAL . 13.8 mt -65.14 147.18 98.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.72 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -139.59 -177.82 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -50.8 114.8 5.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.6 m -128.83 112.75 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 3.9 mp -89.22 134.68 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -149.51 122.99 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.803 ' CE3' HD22 ' A' ' 82' ' ' LEU . 66.5 m95 -99.9 129.75 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.16 157.31 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' GLY . 50.0 tttt -118.65 112.69 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.65 -100.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.34 48.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.44 174.26 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.6 126.13 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -96.2 178.72 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . 34.33 84.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -107.67 41.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 49.67 41.64 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.8 p -114.13 -50.65 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.41 56.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -103.83 156.34 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' ALA . 25.4 ptt180 -34.49 -40.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 57' ' ' LEU . 35.4 m-85 -54.46 105.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.8 m -105.55 161.2 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 25.8 m-85 -141.07 120.81 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -112.22 110.84 21.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -119.78 126.58 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.0 p -122.82 118.27 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.16 122.68 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.8 146.45 23.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 m -87.3 -45.45 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.53 -48.08 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -71.55 -42.67 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.3 t30 69.92 42.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.6 p -126.57 139.55 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.59 100.42 11.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.9 m -87.14 108.18 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 18.7 m -106.65 140.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -136.98 122.61 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.803 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.0 tp -93.12 119.84 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.817 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.2 m170 -115.59 128.92 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 mt -117.33 107.97 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.83 143.4 21.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 61.9 50.79 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.7 m -57.17 150.79 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 26' ' ' THR . 31.1 m -138.16 162.93 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.98 -35.39 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.59 -23.62 67.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' ARG . 71.8 m-20 -77.02 -56.22 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.528 ' HB3' HG23 ' A' ' 114' ' ' VAL . 3.5 ptt85 -36.54 137.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.76 -106.68 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -153.53 158.96 42.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.382 . . . . 0.0 110.926 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 112' ' ' ILE . 84.6 m-85 -141.55 177.2 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -142.61 143.77 32.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.3 tp -122.12 108.55 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.86 134.99 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.6 t -139.44 127.62 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -150.98 127.58 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.46 -74.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' CG ' ' HB2' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -125.86 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -117.46 -30.12 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.0 m -71.63 140.37 49.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -137.88 113.22 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -138.22 141.86 39.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -143.69 143.84 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 1.9 t -118.53 159.79 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.03 128.21 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 10.4 p90 -120.07 175.95 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -137.74 125.48 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.61 HD12 ' CE1' ' A' ' 95' ' ' TYR . 67.6 mt -110.77 148.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.71 147.96 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.675 HG12 ' OG1' ' A' ' 26' ' ' THR . 47.7 t -129.47 94.79 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.37 123.68 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -49.25 161.17 0.47 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.8 Cg_endo -69.77 172.48 12.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p 45.57 42.18 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -147.87 167.17 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.2 109.51 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -116.95 145.66 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -101.57 86.24 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.03 -114.85 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.65 156.49 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -122.44 141.9 51.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -151.78 131.81 7.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.98 61.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -76.78 -35.8 57.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 167.73 43.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -88.07 -50.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -65.12 88.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.13 -37.34 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 8.8 tmtm? -129.56 128.62 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 30.3 mttt -99.71 141.05 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.24 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.94 140.29 47.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.7 p -53.77 133.49 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 m -119.75 127.26 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 p -93.17 125.72 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -134.86 168.23 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -111.09 143.27 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -43.65 141.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.38 -8.88 62.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.843 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.0 mmtt -91.47 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 121.35 36.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 155.59 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -147.86 124.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -117.98 132.31 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.631 HG22 ' OE2' ' A' ' 81' ' ' GLU . 40.8 t -113.4 136.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.42 157.77 43.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' N ' ' HB3' ' A' ' 17' ' ' LYS . 33.3 mmtt -125.37 154.99 41.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.2 t -139.92 119.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.53 116.01 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.18 -36.67 30.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -52.21 -66.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -41.15 -41.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.59 145.16 78.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.83 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.46 179.92 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -54.87 121.48 35.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.76 178.26 4.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 48' ' ' LYS . 99.1 m -111.72 112.81 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 HG11 ' A' ' 80' ' ' VAL . 31.0 mm -88.93 120.21 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.634 ' HG3' HG22 ' A' ' 46' ' ' THR . 18.3 mtmm -149.3 129.82 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.644 ' CE3' HD22 ' A' ' 82' ' ' LEU . 86.0 m95 -104.7 117.31 33.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.8 143.24 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 95' ' ' TYR . 29.1 tttm -97.02 107.4 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.06 -93.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.5 ttmm -51.68 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -76.24 47.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt -106.83 138.16 43.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -105.55 153.08 22.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 49' ' ' TRP . 15.3 mt -115.63 172.06 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.61 -45.39 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -66.55 78.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -173.25 146.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m -66.43 -58.84 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.09 124.23 5.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.35 144.0 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -14.28 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -72.56 111.22 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -118.09 157.8 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.643 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 5.1 m-85 -146.62 136.97 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.77 109.89 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -104.55 138.78 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -130.9 118.52 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.5 122.17 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.26 140.36 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.3 p -79.71 -41.41 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.68 -58.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.7 m -59.65 -39.55 84.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 69.97 33.88 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG21 ' HD2' ' A' ' 35' ' ' LYS . 7.2 p -122.67 148.12 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.31 112.15 25.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 m -88.35 102.76 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.508 HG11 HD12 ' A' ' 47' ' ' ILE . 33.5 m -111.67 128.76 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.631 ' OE2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -122.53 167.86 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.644 HD22 ' CE3' ' A' ' 49' ' ' TRP . 36.2 tp -135.11 110.67 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -104.45 125.23 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -122.87 105.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.09 150.6 22.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 mttt 55.37 52.5 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.8 m -62.29 148.76 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.572 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.5 m -132.67 169.98 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.77 -34.51 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.2 -22.71 72.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.92 58.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -59.6 136.27 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' ASN . . . 153.17 -119.25 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.34 151.38 37.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.622 ' CE1' HD12 ' A' ' 112' ' ' ILE . 68.5 m-85 -130.79 165.79 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -132.26 131.43 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.0 tp -109.18 113.31 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -91.73 137.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 45' ' ' PRO . 86.5 t -146.93 111.66 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.0 OUTLIER -142.76 156.24 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.425 ' N ' ' HD2' ' A' ' 100' ' ' LYS . . . -130.84 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -124.4 -74.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.41 -15.08 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.3 m -94.87 123.65 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 t -131.31 109.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.59 145.51 51.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.2 p -142.76 145.38 33.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 4.1 t -128.72 135.9 49.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.27 141.81 17.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.0 p90 -121.81 -178.03 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t-20 -137.06 139.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 95' ' ' TYR . 66.8 mt -128.2 147.83 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -125.14 139.69 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 88' ' ' VAL . 58.9 t -122.47 95.53 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.81 130.62 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.61 149.34 98.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 160.13 50.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 3' ' ' SER . 65.7 m -112.06 83.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 2' ' ' SER . 53.5 p 34.71 42.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.26 141.98 4.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -124.28 147.45 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -160.76 160.68 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.74 -145.57 17.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.13 141.89 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -170.67 112.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 152.65 12.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.9 3.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 13' ' ' GLY . 9.8 t -127.17 -44.71 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 12' ' ' THR . . . 168.36 176.42 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG11 HD21 ' A' ' 41' ' ' LEU . 99.2 t -71.85 -46.05 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CE2' HD23 ' A' ' 97' ' ' LEU . 4.4 m-85 -69.23 91.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.0 -33.47 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.01 128.65 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -96.73 146.34 31.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.76 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.04 138.36 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -48.62 146.79 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -138.71 119.36 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -87.29 122.74 31.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.2 m -123.56 167.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -104.64 136.91 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.672 ' OG1' HG12 ' A' ' 114' ' ' VAL . 25.4 m -44.73 132.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 -13.08 68.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.86 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.5 mmtt -89.69 -175.74 4.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.48 122.94 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.05 156.47 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 83' ' ' HIS . 89.8 t -147.17 138.42 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 110' ' ' PHE . 93.3 t -133.08 137.49 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.59 138.62 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.41 135.85 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -117.07 154.25 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.28 119.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' CG ' ' HG3' ' A' ' 40' ' ' GLU . 9.5 t-20 -71.73 109.2 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.54 -32.44 64.6 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.11 -53.89 52.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 37' ' ' ASN . 10.9 mt-10 -51.31 -39.14 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 104' ' ' THR . 6.6 mt -79.7 141.71 56.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.52 2.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.29 176.42 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.02 121.71 57.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.78 -172.17 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -132.14 119.26 20.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -101.67 107.06 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -135.87 124.26 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.401 ' HZ3' ' CE1' ' A' ' 110' ' ' PHE . 72.1 m95 -92.23 135.62 33.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -126.98 149.58 49.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 32.0 ttmt -117.4 99.86 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.32 -89.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -51.64 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -82.21 39.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.3 mt -87.67 131.04 34.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.4 116.87 32.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.98 161.32 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.561 ' HA2' ' CE2' ' A' ' 67' ' ' PHE . . . 113.02 78.19 0.85 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -153.69 157.12 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 42.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -70.13 -43.07 71.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.15 42.22 0.78 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' PHE . . . -116.93 154.78 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.13 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ALA . 64.6 m-85 -55.13 108.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -116.36 159.37 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 12.2 m-85 -148.58 121.61 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.66 133.17 56.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HG2' HG12 ' A' ' 80' ' ' VAL . 1.3 tm-20 -140.15 121.54 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.8 p -120.16 126.88 51.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.7 p80 -106.98 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -86.42 154.64 21.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 m -91.85 -54.69 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -50.84 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.45 ' HB3' HG12 ' A' ' 77' ' ' VAL . 1.1 t -56.79 -43.59 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 70.47 35.43 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 75' ' ' SER . 6.7 p -125.27 144.61 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -104.11 125.57 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.3 m -109.87 109.38 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.823 HG11 HG12 ' A' ' 47' ' ' ILE . 26.1 m -112.52 144.91 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -146.0 137.22 24.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 84' ' ' ILE . 31.5 tp -105.19 123.76 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.5 m-70 -117.69 121.23 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.454 HD11 HD21 ' A' ' 82' ' ' LEU . 31.5 mt -120.99 106.32 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.76 147.14 20.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt 66.21 39.12 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.0 m -49.8 160.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.601 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.9 m -149.23 166.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.09 -39.21 63.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.12 -21.42 61.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.41 -50.61 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -39.21 139.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.48 -117.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -153.03 144.74 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 112' ' ' ILE . 54.0 m-85 -120.21 173.8 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -147.94 129.27 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.486 HD23 ' CE2' ' A' ' 15' ' ' PHE . 47.6 tp -101.25 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -91.8 126.36 36.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.69 111.65 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -124.4 152.91 42.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 104' ' ' THR . . . -145.65 178.02 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' ALA . 26.9 mmtt -37.63 -68.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.6 26.28 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.945 HG21 HD23 ' A' ' 41' ' ' LEU . 85.1 m -135.78 110.31 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.19 120.2 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -149.98 149.74 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -148.63 142.02 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' CYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 74.2 m -138.26 136.64 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.21 162.09 12.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.8 OUTLIER -128.51 -175.0 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -138.29 137.78 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 95' ' ' TYR . 53.5 mt -131.08 151.54 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -130.7 138.71 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.672 HG12 ' OG1' ' A' ' 26' ' ' THR . 98.0 t -117.19 98.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.58 126.57 35.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -63.08 157.87 59.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.7 Cg_endo -69.78 167.6 24.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.371 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -114.36 37.17 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -150.68 143.02 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.4 -48.9 0.54 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -116.59 99.31 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -141.65 147.08 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.15 63.61 2.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.87 100.04 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.63 93.1 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -119.79 156.17 54.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 123.26 9.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 13' ' ' GLY . 9.3 t -50.0 -42.3 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 12' ' ' THR . . . 110.3 173.13 20.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.773 HG11 HD21 ' A' ' 41' ' ' LEU . 58.2 t -72.52 -45.15 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' HE2' HD23 ' A' ' 97' ' ' LEU . 7.0 m-85 -71.81 98.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.72 -43.38 97.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -133.31 130.14 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -98.56 142.7 25.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 148.44 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.9 p -54.93 142.17 30.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 112' ' ' ILE . 35.1 m -136.86 117.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -88.11 122.18 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.72 167.22 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.7 139.03 35.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.743 ' OG1' HG12 ' A' ' 114' ' ' VAL . 21.5 m -50.09 129.83 21.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.5 -13.3 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.7 mmtp -89.08 -175.01 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.37 120.55 42.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.65 154.52 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.46 139.44 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -138.1 132.33 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -108.65 141.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.15 128.59 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -104.32 154.74 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -137.51 121.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -72.77 113.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.95 -48.2 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.68 -61.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -46.64 -43.55 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.773 HD21 HG11 ' A' ' 14' ' ' VAL . 18.7 mt -70.75 141.33 87.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.73 7.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -143.84 -177.28 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -57.23 118.81 26.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.79 164.87 32.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 48' ' ' LYS . 86.3 m -101.28 113.23 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD12 HG11 ' A' ' 80' ' ' VAL . 22.7 mm -90.72 110.9 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 46' ' ' THR . 70.0 mttt -141.09 125.42 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -95.25 146.06 24.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -142.82 158.38 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LYS . 21.2 ttmt -122.95 100.96 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.36 -93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.1 ttmt -50.18 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -81.67 39.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 mt -83.27 164.53 20.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.92 114.73 14.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD22 ' CE2' ' A' ' 65' ' ' PHE . 13.9 mt -80.17 -179.81 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.14 86.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -92.14 -56.65 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -135.74 156.9 48.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 t -55.6 -49.71 72.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.58 76.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -148.46 153.7 38.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ALA . 6.7 ptm180 -34.36 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 41.5 m-85 -74.41 104.81 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -112.07 123.0 49.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -110.6 118.2 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -111.5 133.71 53.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -133.97 123.97 25.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -132.17 116.26 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -101.86 135.85 42.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.4 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -74.29 -54.9 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.97 -53.21 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -45.01 95.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 72.49 42.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.26 141.4 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -102.18 111.84 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.1 m -93.81 96.5 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 47' ' ' ILE . 32.2 m -100.82 134.21 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -132.94 132.75 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -105.15 119.83 40.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.93 121.64 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -112.7 107.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.21 142.38 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 64' ' ' ARG . 82.3 mttt 62.83 49.53 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 28' ' ' LYS . 12.6 m -57.4 156.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.669 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.1 m -146.31 161.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -48.31 -36.68 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.07 -29.71 59.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 92' ' ' ARG . 2.1 m-20 -76.64 -53.23 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.8 ptt-85 -35.32 136.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.771 ' CE1' HD12 ' A' ' 112' ' ' ILE . 25.8 m-85 -114.21 177.41 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -150.9 136.11 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD23 ' HE2' ' A' ' 15' ' ' PHE . 44.2 tp -111.68 119.1 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -95.43 137.93 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 45' ' ' PRO . 62.5 t -143.41 132.13 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -162.27 126.04 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.76 -74.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -122.83 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.87 -32.69 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.4 m -67.63 141.35 56.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 p -138.49 118.41 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -141.96 132.9 25.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.5 p -139.05 138.65 37.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.64 162.39 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -139.3 125.78 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 3.8 p90 -115.91 179.84 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -139.19 140.24 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.771 HD12 ' CE1' ' A' ' 95' ' ' TYR . 57.7 mt -129.7 143.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.23 126.05 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.743 HG12 ' OG1' ' A' ' 26' ' ' THR . 82.5 t -101.9 93.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.6 119.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -60.47 157.02 38.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.5 Cg_endo -69.72 179.09 3.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.3 ttp85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -150.45 172.16 15.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -137.78 121.79 17.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.18 137.02 2.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 m -142.81 117.79 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.816 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -141.68 137.87 32.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.44 -124.44 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.28 36.74 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -98.38 167.97 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.95 125.25 24.19 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.48 5.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 12' ' ' THR . 8.0 m -86.75 38.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.18 -171.33 25.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.6 HG23 ' HD1' ' A' ' 15' ' ' PHE . 17.0 m -76.96 -25.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.6 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.5 m-85 -80.37 92.09 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.87 -34.36 62.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 1.2 tmtp? -145.42 128.82 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -102.97 145.63 30.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 22' ' ' VAL . 82.6 m-20 -92.21 133.68 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 t -38.09 146.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.8 m -138.27 119.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 p -88.15 113.6 23.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HG21 ' A' ' 87' ' ' VAL . 4.0 m -117.1 165.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.4 144.35 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 88' ' ' VAL . 8.0 m -52.58 131.2 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.45 13.15 63.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.779 ' O ' HG22 ' A' ' 87' ' ' VAL . 22.3 mmmt -112.8 -175.85 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -116.1 120.83 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 151.44 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG13 ' NE2' ' A' ' 83' ' ' HIS . 75.9 t -141.03 127.66 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 92.2 t -119.31 148.81 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.86 142.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -164.19 142.07 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -113.55 156.88 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.75 118.62 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -72.19 101.27 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -68.79 -46.89 58.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -39.88 -58.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.96 -41.73 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.769 HD12 ' HA2' ' A' ' 38' ' ' GLY . 10.0 mt -69.03 140.61 91.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -26.7 27.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -155.68 179.39 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -53.76 117.88 13.6 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.75 171.82 13.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -116.91 113.28 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.67 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -93.98 126.54 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -145.76 123.18 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CE3' HD22 ' A' ' 82' ' ' LEU . 89.6 m95 -93.17 123.75 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.54 151.4 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 49.9 tttt -117.88 104.14 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.9 -92.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 15.8 ttpp -47.83 175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.3 p-90 -76.03 48.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -97.38 141.95 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -112.91 98.48 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.36 162.82 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 84.72 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -159.07 116.88 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -83.48 37.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -91.46 41.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.48 53.63 31.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.546 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.14 142.69 47.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -29.71 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -59.59 107.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -126.19 157.9 36.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -138.57 140.16 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -130.9 113.79 14.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HG3' HG12 ' A' ' 80' ' ' VAL . 20.1 tt0 -112.61 132.59 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -125.96 101.88 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.2 p80 -90.28 121.58 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.41 152.36 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 t -88.61 -42.92 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -55.88 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -67.81 -34.74 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.71 46.97 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.22 138.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.87 102.17 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.4 m -86.32 106.97 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 47' ' ' ILE . 22.2 m -103.13 139.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.11 126.28 29.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD22 ' CE3' ' A' ' 49' ' ' TRP . 22.8 tp -96.73 112.34 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.5 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -106.27 124.5 49.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.1 120.73 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.99 153.13 19.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mttp 57.94 49.89 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -65.33 136.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 26' ' ' THR . 15.8 m -128.44 168.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.97 -29.48 43.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.2 -19.35 73.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' ARG . 5.0 m-20 -83.32 -54.51 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.0 ptt85 -36.33 141.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.83 -109.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -155.19 146.31 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.891 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 72.3 m-85 -126.25 177.21 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -152.77 141.99 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 15' ' ' PHE . 45.2 tp -115.68 121.8 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -102.48 133.09 48.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -139.18 135.9 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -164.81 125.71 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.15 -70.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 30.4 mmtt -131.58 -64.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.56 -32.0 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.0 m -71.38 140.39 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.7 p -137.13 113.3 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -135.52 144.75 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -148.34 143.55 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.3 m -134.3 138.0 44.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.61 151.93 17.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -127.37 -175.37 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -140.94 130.52 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.554 HD12 ' CE1' ' A' ' 95' ' ' TYR . 77.0 mt -121.74 140.72 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.73 128.37 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.433 HG12 ' OG1' ' A' ' 26' ' ' THR . 92.5 t -104.98 90.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.15 130.19 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.68 153.87 85.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 173.76 10.55 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -62.6 151.54 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -51.7 -47.37 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.16 -162.41 34.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -53.74 -45.69 70.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -62.53 153.45 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.18 -65.53 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.04 148.25 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -69.92 120.74 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.2 151.09 83.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.91 22.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -90.21 -35.96 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.22 163.74 6.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 41' ' ' LEU . 96.9 t -55.51 -50.72 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.18 95.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.28 -42.25 81.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -134.86 128.72 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -100.0 143.26 26.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.82 133.21 24.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.15 150.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -53.54 145.86 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.3 m -144.45 117.2 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 113' ' ' ASP . 52.1 m -96.17 107.98 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.4 m -104.3 168.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.12 137.01 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.2 m -44.95 134.06 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.32 -13.65 67.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -90.26 179.8 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.81 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 149.44 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.1 137.48 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 79.0 t -133.8 125.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.6 138.3 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.69 126.64 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -105.36 153.25 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.62 119.26 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 42.4 t-20 -71.48 105.57 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -69.9 -47.31 47.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -47.32 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 49.9 mm-40 -45.76 -44.38 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 14' ' ' VAL . 13.5 mt -68.08 146.1 97.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.48 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -44.67 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -140.08 176.28 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -49.6 116.23 5.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.75 161.98 43.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 m -108.52 112.58 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.6 HG23 HD11 ' A' ' 97' ' ' LEU . 4.7 mp -90.51 130.14 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 26.9 mttm -152.58 125.65 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CB ' HD12 ' A' ' 57' ' ' LEU . 89.0 m95 -96.98 131.78 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 48' ' ' LYS . 6.7 m-85 -130.71 150.25 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' LYS . 16.7 ttmt -103.27 89.04 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.83 -86.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.8 mtmt -51.11 -176.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.02 38.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -91.82 160.21 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -127.53 106.33 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD12 ' CB ' ' A' ' 49' ' ' TRP . 38.7 mt -49.7 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' SER . . . 44.32 -93.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' GLY . 96.0 p 33.5 42.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -85.43 41.02 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.5 m -119.11 39.29 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.26 43.48 5.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' PHE . . . -118.49 150.23 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -34.96 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ALA . 38.0 m-85 -69.73 104.93 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -114.59 161.62 17.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -138.05 121.58 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -114.61 111.48 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -113.98 127.52 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -117.31 111.92 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -97.77 118.15 33.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HB2' ' A' ' 75' ' ' SER . 82.3 m-20 -90.63 149.64 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 p -83.72 -62.05 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.03 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 72' ' ' ASN . 58.8 m -71.19 -43.61 67.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 67.69 41.9 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.16 142.87 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -104.11 102.13 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 m -87.64 102.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 HG12 ' A' ' 47' ' ' ILE . 21.8 m -101.15 134.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -130.99 119.31 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 tp -88.66 123.41 33.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -119.49 116.61 26.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -113.25 103.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.25 149.32 27.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt 61.94 48.17 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' LYS . 5.8 m -58.13 146.9 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.1 m -136.01 162.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.51 -39.19 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.3 -25.01 62.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.98 -50.48 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.34 138.83 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.3 -105.5 0.27 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 3.0 t80 -151.05 155.56 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.669 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.0 m-85 -139.87 175.38 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -157.76 143.54 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 47' ' ' ILE . 29.0 tp -117.76 115.57 25.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -91.54 133.2 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 45' ' ' PRO . 82.1 t -141.46 122.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.89 135.65 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.03 -72.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 16.5 mmtp -124.41 -64.15 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -133.82 24.38 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.3 m -125.35 110.89 14.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.0 p -107.48 114.13 27.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.56 118.46 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -127.23 150.48 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.02 131.29 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.89 147.8 17.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -129.21 -175.49 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -137.76 122.5 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.669 HD12 ' CE1' ' A' ' 95' ' ' TYR . 71.8 mt -113.2 146.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 23' ' ' SER . 2.1 t70 -123.36 141.94 51.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -122.78 90.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.79 115.95 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.37 150.89 5.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.57 27.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -84.59 164.59 18.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -154.74 167.01 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.32 -86.73 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 151.71 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.375 . . . . 0.0 110.826 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -65.17 -28.51 69.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.75 115.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.71 69.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.33 140.25 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.12 158.27 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 139.6 40.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -97.17 -44.71 6.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.24 140.55 46.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 ' OD2' ' A' ' 106' ' ' ASP . 6.6 m -68.38 -32.27 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -91.43 89.55 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.47 -33.41 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -146.46 129.23 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -103.2 151.21 38.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.4 Cg_endo -69.71 102.46 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.05 137.56 40.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.539 ' HB3' ' ND2' ' A' ' 111' ' ' ASN . 34.8 p -44.6 130.67 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.24 123.72 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 p -95.16 108.09 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 87' ' ' VAL . 1.8 m -112.67 167.56 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -106.88 147.1 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.8 m -55.03 129.99 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -1.91 68.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.828 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.6 mmmt -101.13 -175.32 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.65 122.55 47.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.86 154.77 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG22 ' ND1' ' A' ' 83' ' ' HIS . 96.1 t -149.1 132.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 57.6 t -126.37 143.31 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.66 134.31 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.09 9.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -108.38 152.55 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -133.2 122.45 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.45 101.65 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -61.26 -50.7 64.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 48.6 mttt -40.09 -49.72 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -55.3 -37.3 67.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 45' ' ' PRO . 4.5 mt -84.7 142.27 39.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -36.67 10.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.22 170.79 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -46.24 116.33 3.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.8 -179.62 3.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.445 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 53.9 m -119.23 112.93 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.689 HG23 HD11 ' A' ' 97' ' ' LEU . 4.0 mp -95.26 124.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 46' ' ' THR . 67.5 mttm -142.06 123.08 14.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.98 118.95 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -111.33 147.33 35.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' LYS . 38.9 tttt -111.34 95.32 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.3 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.9 ttmt -53.03 -174.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.48 30.2 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.12 169.48 17.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -130.88 123.47 29.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -93.75 165.44 12.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.1 -111.56 2.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -73.29 -49.05 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -78.33 117.6 19.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.9 m 62.03 53.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.38 116.86 0.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.23 -57.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -85.58 19.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 3.4 m-85 -110.59 123.29 49.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -121.76 124.34 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 1.2 m-85 -113.73 138.39 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -134.6 116.53 15.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -108.1 115.94 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -107.23 105.9 16.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.92 139.52 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -108.48 157.01 18.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.7 m -107.38 -23.5 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.85 -64.94 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -67.05 -13.73 62.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 m-20 50.89 43.98 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -122.12 145.74 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.5 109.77 21.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 107.26 18.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.44 127.41 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -122.3 149.13 44.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tp -123.0 112.12 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' HG22 ' A' ' 31' ' ' VAL . 16.0 m-70 -104.89 137.74 42.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -131.39 108.92 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.48 155.24 29.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.9 mttt 51.97 53.64 12.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -68.07 135.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.761 ' HA ' HG23 ' A' ' 26' ' ' THR . 16.7 m -126.69 166.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -34.75 64.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.67 -8.0 59.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -94.28 -36.78 11.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HB3' HG23 ' A' ' 114' ' ' VAL . 5.2 ptt-85 -53.54 134.13 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.29 -130.27 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 2.3 t80 -132.52 137.79 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 110' ' ' PHE . 89.1 m-85 -116.85 154.45 30.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.85 137.37 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.689 HD11 HG23 ' A' ' 47' ' ' ILE . 32.6 tp -119.38 125.01 47.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -105.7 138.89 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' A' ' 45' ' ' PRO . 75.5 t -143.0 110.07 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -141.67 129.79 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -125.21 -74.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.87 -16.96 14.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 80.2 m -85.93 129.22 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.3 p -127.38 117.49 22.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -142.87 138.9 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -143.24 147.13 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.68 124.8 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.82 174.23 19.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 95' ' ' TYR . 1.0 OUTLIER -146.68 -176.91 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 21' ' ' SER . 0.7 OUTLIER -139.39 133.06 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.44 150.29 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.66 126.19 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HB3' ' A' ' 92' ' ' ARG . 23.9 t -107.91 95.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.13 126.51 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.72 153.42 93.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.64 6.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.488 HG13 ' HD1' ' A' ' 15' ' ' PHE . 2.1 p -66.27 -39.21 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.614 ' HE2' HD23 ' A' ' 97' ' ' LEU . 4.1 m-85 -73.4 87.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.36 -31.83 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 5.4 tmtt? -136.83 128.94 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 84.9 mttt -102.55 143.35 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.38 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.76 133.22 49.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.3 m -45.9 127.26 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.0 m -113.35 123.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -95.12 109.97 21.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.9 m -113.73 168.07 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.49 143.99 32.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.4 m -48.58 137.24 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.06 84.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.818 ' O ' HG22 ' A' ' 87' ' ' VAL . 72.5 mmtt -95.37 -179.94 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.71 120.82 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.93 155.18 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -150.95 127.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.77 145.22 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -123.37 131.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.0 151.99 29.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -129.16 162.43 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -141.16 124.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -75.51 102.88 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -42.8 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -46.64 -52.55 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -57.82 -32.29 67.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.6 mt -83.52 142.63 43.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.0 Cg_endo -69.68 -45.32 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -128.78 177.11 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -59.72 121.88 61.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.476 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.7 159.77 52.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.36 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 48' ' ' LYS . 97.7 m -108.57 113.21 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.9 HG12 HG11 ' A' ' 80' ' ' VAL . 2.9 mp -91.69 118.11 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG3' HG22 ' A' ' 46' ' ' THR . 43.2 mtmt -138.4 126.6 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -98.85 124.76 43.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -118.8 158.38 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 52' ' ' GLY . 47.1 tttt -121.44 120.1 33.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.68 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 5.2 ptpp? -57.5 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -76.11 46.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CG ' ' A' ' 53' ' ' LYS . 9.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.812 0.339 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -73.56 110.92 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -114.18 152.79 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -133.91 128.21 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -121.27 108.32 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.3 122.01 38.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -124.32 134.19 53.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.1 p80 -110.12 125.15 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -83.71 150.72 25.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.4 p -86.14 -44.34 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.34 -50.42 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -63.8 -48.13 78.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 74.67 34.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.32 133.65 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -92.48 108.22 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 m -94.27 108.42 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.9 HG11 HG12 ' A' ' 47' ' ' ILE . 25.8 m -109.72 140.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -137.66 129.05 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 tp -99.03 116.06 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.46 132.34 54.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.8 mt -127.11 128.71 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.55 16.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 58.82 49.3 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.9 m -61.82 147.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.584 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -136.22 163.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.669 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -56.29 -25.74 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.91 -11.49 83.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.02 -36.11 11.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 89' ' ' LEU . 4.3 ptt-85 -53.36 149.52 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.91 -112.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -148.56 150.47 33.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.668 ' CE1' HD12 ' A' ' 112' ' ' ILE . 87.9 m-85 -130.53 178.77 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -153.2 128.73 9.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.614 HD23 ' HE2' ' A' ' 15' ' ' PHE . 37.1 tp -105.9 113.77 27.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -92.11 138.43 31.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.1 t -148.78 109.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -121.88 149.26 43.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -133.27 -174.81 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 10.7 tptp -33.64 -58.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -131.27 -31.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.6 m -71.59 139.92 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 28.9 p -140.34 127.73 21.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.77 148.91 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.8 p -149.81 138.13 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.9 t -112.04 155.68 23.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.43 133.15 8.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.3 p90 -127.11 165.78 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.512 HD22 ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -134.55 131.98 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.668 HD12 ' CE1' ' A' ' 95' ' ' TYR . 61.4 mt -111.77 151.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.75 140.23 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 92' ' ' ARG . 97.9 t -119.6 93.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.44 130.33 42.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.137 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.548 HG11 HD21 ' A' ' 41' ' ' LEU . 94.4 t -67.54 -39.94 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.6 m-85 -77.02 92.18 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.81 -30.76 64.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -151.28 128.75 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -93.58 148.56 35.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.7 . . . . 0.0 110.939 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.62 4.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -84.63 138.63 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 p -50.06 133.26 23.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 31.0 m -119.59 120.99 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -85.34 113.32 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 30' ' ' ALA . 1.9 m -118.05 163.2 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -108.27 137.34 46.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.2 m -43.63 135.2 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.27 1.03 82.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.809 ' O ' HG22 ' A' ' 87' ' ' VAL . 48.0 mmtt -105.48 -177.56 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.5 121.52 44.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -89.27 147.85 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.06 129.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.55 147.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.73 135.89 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.16 132.69 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.37 156.85 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -141.28 123.2 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.61 121.92 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.04 -34.16 15.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -55.79 -58.46 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -51.8 -41.24 61.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD21 HG11 ' A' ' 14' ' ' VAL . 60.4 mt -70.49 143.62 90.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -45.25 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 9.7 t0 -135.69 -176.57 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -60.77 123.41 74.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.9 Cg_endo -69.8 162.77 40.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -104.45 112.83 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -85.87 119.08 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -151.22 125.27 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' PHE . 82.1 m95 -99.59 136.48 39.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.98 162.79 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.5 tttt -118.43 114.58 23.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.16 -92.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.4 ttpt -54.96 176.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.64 48.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.817 0.341 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -80.2 121.82 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -138.32 159.84 41.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD1' ' CD1' ' A' ' 49' ' ' TRP . 3.1 m-85 -144.26 117.61 9.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -108.69 128.26 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -117.87 135.16 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -112.76 102.54 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.86 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -96.85 156.33 16.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -100.24 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.7 -74.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -59.78 -25.2 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 61.4 42.98 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.91 150.17 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -110.58 113.48 26.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.6 m -103.69 110.47 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 m -109.69 139.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -132.47 135.35 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 84' ' ' ILE . 27.9 tp -98.14 120.62 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -112.66 122.02 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.505 HD11 HD21 ' A' ' 82' ' ' LEU . 65.4 mt -125.07 102.69 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 152.06 30.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.0 mttp 53.48 53.01 12.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.2 m -61.07 165.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.5 m -150.7 165.02 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' CD ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -54.37 -28.19 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.34 -21.68 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -79.61 -34.44 40.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CD ' HD13 ' A' ' 89' ' ' LEU . 3.7 ptt-85 -58.2 147.72 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.26 -112.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 2.7 t80 -150.16 146.14 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.474 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 81.1 m-85 -128.1 170.31 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -138.29 130.94 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 tp -109.52 121.86 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -98.94 141.8 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 45' ' ' PRO . 98.7 t -146.85 111.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -138.94 130.78 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -101.97 -75.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -121.31 -70.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.34 -19.6 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.8 m -81.83 128.32 33.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 22.8 p -119.64 120.05 35.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.5 OUTLIER -137.95 134.37 34.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.2 p -139.39 154.41 47.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m -152.4 135.96 16.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 169.16 13.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.0 p90 -144.73 166.99 23.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.28 136.8 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.65 147.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.48 128.02 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 92' ' ' ARG . 46.8 t -113.97 92.54 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.35 126.3 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.083 179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' HD1' ' A' ' 15' ' ' PHE . 1.8 p -55.29 -40.36 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' HD1' HG13 ' A' ' 14' ' ' VAL . 4.1 m-85 -70.19 97.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.76 -33.26 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -149.6 128.85 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -92.89 152.92 41.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.516 0.674 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 102.14 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.73 142.61 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -55.59 142.87 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 m -130.89 125.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -92.1 118.33 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 87' ' ' VAL . 1.7 m -120.91 167.4 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -114.12 137.59 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.513 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -40.24 125.27 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.32 -3.05 63.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.91 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.1 mmmt -98.88 175.7 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.36 120.95 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 153.86 23.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.5 t -143.42 132.42 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.15 116.0 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 151.52 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.82 124.65 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -98.53 143.38 29.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -131.38 123.25 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.79 111.37 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.51 -45.05 30.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -49.08 -47.55 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.77 -40.26 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD23 HG21 ' A' ' 104' ' ' THR . 8.1 mt -79.73 141.51 55.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.76 3.12 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.53 -178.29 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -66.55 124.13 87.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.74 164.65 33.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -102.74 113.24 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 80' ' ' VAL . 20.3 mm -88.99 115.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 97' ' ' LEU . 40.3 mttp -141.66 123.92 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CE3' HD22 ' A' ' 82' ' ' LEU . 96.6 m95 -100.32 117.68 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CG ' ' HA ' ' A' ' 54' ' ' TRP . 60.5 m-85 -110.04 145.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.795 ' O ' HD12 ' A' ' 55' ' ' LEU . 19.0 ttmt -111.75 88.93 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.74 -92.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -99.7 87.55 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' LYS . 45.8 p-90 31.64 38.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 51' ' ' LYS . 7.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -71.58 106.35 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -115.7 144.53 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -125.47 120.89 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -112.15 112.86 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -120.61 121.04 37.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -125.33 121.57 34.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -97.94 133.8 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.74 151.97 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -96.25 -27.01 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.29 -68.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.27 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 67.9 45.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -120.96 137.53 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -92.89 106.2 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.4 m -88.68 103.19 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 47' ' ' ILE . 34.4 m -109.68 131.51 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -126.01 155.9 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.614 HD22 ' CE3' ' A' ' 49' ' ' TRP . 13.7 tp -129.51 102.56 6.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -99.42 133.59 43.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -129.28 101.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.41 151.5 29.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 59.02 54.06 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.0 m -67.39 153.96 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.513 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.6 m -138.99 165.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.413 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.8 OUTLIER -57.16 -23.17 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -7.62 88.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -96.79 -31.98 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.413 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.2 ptt85 -57.53 145.85 32.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.49 -117.13 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 2.1 t80 -150.92 140.75 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.674 ' CE1' HD12 ' A' ' 112' ' ' ILE . 36.1 m-85 -116.58 -175.2 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -161.25 128.76 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' LYS . 50.4 tp -101.42 116.99 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.59 124.42 41.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 45' ' ' PRO . 67.0 t -139.82 114.72 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -126.56 143.54 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 100' ' ' LYS . . . -127.95 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -39.77 -68.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -128.16 24.87 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.471 HG21 HD23 ' A' ' 41' ' ' LEU . 98.3 m -138.03 116.53 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.2 t -125.77 131.84 52.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.66 138.87 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.9 p -136.88 151.02 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.8 t -138.8 136.14 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.25 150.38 18.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -129.29 -175.16 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -133.89 142.89 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.674 HD12 ' CE1' ' A' ' 95' ' ' TYR . 12.5 mt -130.32 137.63 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 135.38 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -118.49 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.27 135.42 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.137 179.886 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 41' ' ' LEU . 96.2 t -93.48 -49.75 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.99 99.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.14 -41.46 92.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -139.12 128.78 24.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -94.27 151.36 39.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.79 155.52 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -69.52 129.24 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 22' ' ' VAL . 7.1 m -122.86 123.55 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.65 113.16 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.666 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -108.71 168.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.66 137.97 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -42.69 131.23 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.25 1.34 78.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.87 ' O ' HG22 ' A' ' 87' ' ' VAL . 19.6 mmmt -102.96 177.63 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.51 120.66 42.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -84.68 154.48 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.74 130.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 110' ' ' PHE . 63.2 t -123.09 136.56 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.64 129.68 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.38 124.97 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -101.77 155.87 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 77' ' ' VAL . 96.0 t -140.36 129.19 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 36.4 t-20 -71.85 108.2 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.14 -47.25 31.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.85 -49.71 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 38.4 mm-40 -50.9 -44.01 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 14' ' ' VAL . 6.6 mt -72.36 143.33 85.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -28.4 25.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.292 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -150.14 -178.16 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -63.57 120.75 65.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.5 41.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -100.83 112.77 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.608 HD12 HG11 ' A' ' 80' ' ' VAL . 27.2 mm -85.33 114.7 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -140.09 133.19 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.439 ' CE3' HD22 ' A' ' 82' ' ' LEU . 92.9 m95 -110.76 144.81 39.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -138.4 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.4 ttmt -127.34 96.29 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.08 -76.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.554 ' HE3' HD11 ' A' ' 55' ' ' LEU . 2.2 pttt -92.95 -174.95 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' LEU . 1.7 p90 -40.91 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD11 ' HE3' ' A' ' 53' ' ' LYS . 14.2 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 91' ' ' ASP . 15.7 ptt180 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -76.63 104.9 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.8 m -115.9 137.77 51.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.5 m-30 -111.96 117.87 33.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -104.03 108.34 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.2 136.43 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -134.1 103.1 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -91.26 124.33 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.34 146.74 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 p -85.55 -39.64 17.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.53 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -59.97 -39.0 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 69.91 45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -124.02 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.16 110.59 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 m -98.37 100.1 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.608 HG11 HD12 ' A' ' 47' ' ' ILE . 32.6 m -101.93 137.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -132.58 138.0 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' CE3' ' A' ' 49' ' ' TRP . 25.3 tp -108.42 118.28 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -107.54 131.4 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.47 107.67 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.04 152.07 22.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt 55.55 47.64 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.87 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.1 m -55.1 150.4 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.14 159.97 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.46 -19.49 3.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.24 -21.45 54.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 64' ' ' ARG . 8.6 m-20 -80.28 -26.51 38.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.4 ptt85 -65.58 151.41 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.59 -110.86 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.4 t80 -150.45 143.56 24.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.661 ' CE1' HD12 ' A' ' 112' ' ' ILE . 49.3 m-85 -120.21 178.51 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -151.42 138.92 19.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.33 120.71 40.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -99.26 139.34 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -150.17 123.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -133.51 146.43 51.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 104' ' ' THR . . . -137.86 -176.45 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' ALA . 45.6 mttt -38.26 -71.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -125.0 29.01 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.493 HG21 HD23 ' A' ' 41' ' ' LEU . 87.7 m -143.56 123.45 13.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.67 129.49 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.99 153.79 37.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.3 p -140.83 152.79 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.8 t -146.23 136.78 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.1 163.34 13.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.61 ' HE2' HD11 ' A' ' 112' ' ' ILE . 7.4 p90 -140.43 179.81 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -130.48 137.83 49.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 95' ' ' TYR . 37.3 mt -123.96 144.14 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.7 129.08 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 92' ' ' ARG . 81.3 t -110.25 91.53 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.13 143.79 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.068 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 40' ' ' GLU . 21.7 t -75.55 -37.31 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.87 97.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.31 -32.27 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -148.71 129.28 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -101.22 146.22 31.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.65 14.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.1 m-20 -94.49 132.62 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -40.49 137.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 20' ' ' ASP . 27.8 m -132.44 126.16 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.34 115.26 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -115.01 168.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -101.07 153.07 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 88' ' ' VAL . 2.7 m -60.19 136.59 58.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.81 -0.96 86.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.64 ' O ' HG22 ' A' ' 87' ' ' VAL . 64.6 mmtt -100.47 -175.03 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.25 121.0 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.16 148.81 26.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' A' ' 83' ' ' HIS . 95.6 t -136.5 126.13 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.81 118.52 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.46 139.1 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.05 129.1 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.64 156.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -139.89 125.77 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -74.08 121.86 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -44.43 7.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -47.85 -55.71 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HG22 ' A' ' 14' ' ' VAL . 8.2 mm-40 -48.91 -42.45 37.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 45' ' ' PRO . 18.6 mt -72.5 140.38 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -44.45 2.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.679 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 11.2 t0 -127.55 -175.62 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -64.09 121.17 70.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.8 159.83 51.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 m -116.18 112.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.776 HG12 HG11 ' A' ' 80' ' ' VAL . 2.8 mp -85.89 134.15 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -158.26 126.92 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.555 ' CE3' HD22 ' A' ' 82' ' ' LEU . 59.5 m95 -99.64 127.19 45.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.44 140.6 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -103.42 103.9 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.7 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.4 ttpt -52.46 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.33 48.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -80.34 113.07 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -119.44 150.66 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -140.13 120.87 14.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -113.9 109.0 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -116.3 128.04 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -128.44 100.07 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -83.88 133.18 34.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.9 149.44 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -99.02 -9.65 23.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.24 -48.9 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -91.07 0.46 57.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 37.71 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.0 141.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -109.18 103.05 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -88.33 108.15 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.776 HG11 HG12 ' A' ' 47' ' ' ILE . 21.2 m -111.35 140.98 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.3 mp0 -135.97 126.72 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -100.62 108.77 20.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -105.94 130.9 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 87' ' ' VAL . 46.9 mt -126.32 105.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.22 155.61 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt 56.02 42.61 28.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 28' ' ' LYS . 6.3 m -56.06 167.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.665 ' HA ' HG23 ' A' ' 26' ' ' THR . 33.0 m -152.71 170.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.429 HD22 HG12 ' A' ' 114' ' ' VAL . 0.6 OUTLIER -58.76 -42.12 88.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.02 -21.94 56.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -77.52 -49.13 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.5 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.6 ptt-85 -43.94 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.77 -108.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -148.92 153.07 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.678 ' CE1' HD12 ' A' ' 112' ' ' ILE . 89.2 m-85 -137.95 171.4 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -150.18 132.76 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.42 117.62 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -97.93 133.07 42.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.88 112.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -137.36 129.89 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -98.35 -75.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -123.49 -71.33 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -113.67 -16.28 12.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 93.4 m -92.36 127.55 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.36 109.22 12.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.82 138.47 54.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 p -141.25 154.09 45.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.4 p -118.69 160.62 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -133.12 120.18 2.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 95' ' ' TYR . 52.6 p90 -132.21 164.76 25.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -125.49 151.29 46.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.678 HD12 ' CE1' ' A' ' 95' ' ' TYR . 31.5 mt -126.04 149.48 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.12 128.76 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 88' ' ' VAL . 86.3 t -112.68 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.87 132.04 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.167 179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.723 HG23 ' HD1' ' A' ' 15' ' ' PHE . 27.7 m -119.06 -20.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.723 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -87.88 95.19 10.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.27 -37.11 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -142.74 130.03 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -95.51 149.37 36.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' ' 22' ' ' VAL . 12.5 m-20 -74.69 139.63 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 138.44 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' VAL . 33.8 m -133.62 117.76 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -93.54 106.18 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -101.01 168.27 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -100.11 137.26 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.456 ' OG1' HG12 ' A' ' 114' ' ' VAL . 11.1 m -46.15 137.04 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -7.48 77.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.973 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.7 mmtt -94.66 -175.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.99 125.48 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 24' ' ' VAL . . . -91.6 153.45 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -148.86 127.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' VAL . 71.8 t -115.92 153.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 53.6 t -127.82 128.8 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.87 125.63 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -105.32 155.01 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.86 119.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -72.03 108.62 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -72.07 -40.41 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -49.73 -55.74 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.303 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -53.61 -39.25 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.1 mt -74.85 141.24 75.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -42.69 3.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.64 -178.9 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -63.06 119.19 49.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.57 65.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -103.44 113.06 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 2.5 mp -89.25 128.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 70.5 mttt -149.36 123.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -93.01 115.99 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 95.2 m-85 -113.14 151.49 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -96.22 167.12 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -40.85 -34.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -91.8 -174.81 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -83.18 36.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.0 111.45 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 m -127.37 138.64 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.7 m-85 -115.62 120.0 37.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HD2' ' NE2' ' A' ' 83' ' ' HIS . 63.6 mttt -106.77 112.36 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 6.7 tm-20 -117.83 129.54 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -130.28 101.24 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 4.4 t-80 -84.1 134.92 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -102.54 153.18 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 t -99.56 -7.47 25.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.59 -60.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -71.94 -12.5 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.44 48.15 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.58 133.8 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 71' ' ' HIS . 30.8 m-85 -97.86 101.03 12.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 m -84.98 113.83 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 26.8 m -115.32 138.58 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -133.96 141.94 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.81 120.62 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' NE2' ' HD2' ' A' ' 68' ' ' LYS . 9.5 m-70 -112.97 129.26 56.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 mt -124.89 105.27 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.17 146.56 21.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 60.75 40.92 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.7 m -51.49 148.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.453 ' HA ' HG23 ' A' ' 26' ' ' THR . 30.5 m -137.29 167.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.676 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.4 mm? -59.9 -30.97 69.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.34 -17.48 74.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.26 -39.76 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.676 ' CD ' HD13 ' A' ' 89' ' ' LEU . 2.8 ptt85 -51.67 142.94 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.44 -111.74 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 95' ' ' TYR . 10.3 t80 -146.57 155.01 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' A' ' 112' ' ' ILE . 88.4 m-85 -142.58 152.25 42.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -123.53 138.35 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 15' ' ' PHE . 53.4 tp -113.74 112.68 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -91.85 137.62 32.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.41 109.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.15 151.58 38.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -130.82 -174.63 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' ALA . 27.0 tttt -32.91 -59.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.77 -31.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.4 m -73.3 146.44 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.1 p -140.58 129.95 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.4 148.62 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.2 p -150.34 139.12 20.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.1 t -119.59 160.95 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -135.45 143.65 15.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -131.51 176.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.2 m-20 -136.17 139.17 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 95' ' ' TYR . 34.4 mt -120.83 143.08 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -124.54 131.5 53.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 85.0 t -112.69 94.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.1 131.61 46.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' HD1' ' A' ' 15' ' ' PHE . 26.8 m -104.82 -21.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.642 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.3 m-85 -89.0 86.42 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -46.44 -41.14 13.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -142.47 137.02 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -104.31 148.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.1 Cg_endo -69.79 101.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.516 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.21 137.65 45.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 p -47.5 134.08 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' VAL . 25.0 m -129.72 120.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -96.8 117.47 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 87' ' ' VAL . 1.4 m -115.94 168.36 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -94.19 149.58 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 88' ' ' VAL . 4.3 m -58.79 126.04 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.54 -7.31 61.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.4 mmmt -92.05 -175.78 4.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.92 122.17 46.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.8 21.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.0 t -149.17 125.09 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 33' ' ' VAL . 87.4 t -114.83 155.85 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 32' ' ' VAL . 69.7 t -132.54 135.05 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.72 126.59 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -99.48 151.09 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.35 110.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.77 110.25 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.22 -44.11 53.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -40.16 -52.69 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -57.34 -37.32 72.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 45' ' ' PRO . 38.0 mt -74.74 144.16 79.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.436 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.6 Cg_endo -69.73 -32.17 19.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -154.4 -178.73 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -52.22 121.87 22.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.8 -174.79 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.613 HG22 ' HG3' ' A' ' 48' ' ' LYS . 41.1 m -119.8 116.52 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.636 HD12 HG11 ' A' ' 80' ' ' VAL . 37.7 mm -93.96 117.33 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 46' ' ' THR . 61.4 mttt -146.83 130.89 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -112.47 114.13 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -107.18 150.81 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 52' ' ' GLY . 26.1 tttm -106.09 88.22 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.55 37.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -174.28 -175.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -74.71 -4.98 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.861 0.362 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -87.49 106.26 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m -120.95 141.3 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -113.93 138.91 49.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -121.33 109.34 14.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.512 ' CD ' ' N ' ' A' ' 70' ' ' SER . 3.3 tp10 -125.78 130.82 52.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.512 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 3.1 m -132.44 109.38 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.521 ' CD2' ' CZ ' ' A' ' 78' ' ' TYR . 7.7 t-80 -86.53 122.95 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 73' ' ' SER . 25.1 t-20 -98.3 152.94 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 15.6 t -88.38 -71.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.49 23.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -67.81 -47.26 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 73.25 40.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -126.45 137.81 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.521 ' CZ ' ' CD2' ' A' ' 71' ' ' HIS . 24.8 m-85 -99.73 107.32 19.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 m -89.76 96.36 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 47' ' ' ILE . 35.0 m -99.19 131.58 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -133.31 144.44 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.3 tp -110.94 125.86 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -116.96 136.33 53.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -133.84 123.32 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.2 18.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 55.91 48.37 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.4 m -59.18 147.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -135.98 164.21 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.667 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -53.77 -38.07 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.42 57.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -93.54 -29.47 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.667 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.5 ptt85 -62.85 147.25 50.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 -114.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.4 OUTLIER -144.52 149.67 36.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.947 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.48 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 52.6 m-85 -132.0 173.15 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -147.92 145.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.69 117.25 26.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -94.13 127.93 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -139.0 110.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.04 132.7 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.88 -73.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 76.1 mttt -126.68 -75.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -107.8 -17.89 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.9 m -90.09 127.68 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.0 t -133.93 112.47 11.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.51 114.2 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.8 p -120.32 139.05 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.09 162.53 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -137.25 125.29 3.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.442 ' C ' ' OD1' ' A' ' 111' ' ' ASN . 30.4 p90 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 m120 -137.71 140.49 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' A' ' 95' ' ' TYR . 35.3 mt -117.26 146.06 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.82 126.14 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ARG . 96.0 t -107.16 99.06 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.91 125.56 29.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.839 HG21 ' OD2' ' A' ' 106' ' ' ASP . 23.8 m -72.48 -23.98 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.676 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -90.43 89.09 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.76 -34.65 12.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -141.15 131.61 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 145.36 30.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.679 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' VAL . 22.3 m-20 -82.01 148.64 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 p -53.29 135.98 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.7 m -133.56 117.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -95.14 112.93 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.7 m -110.27 168.4 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -101.77 139.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -46.35 138.51 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.48 -6.6 79.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.793 ' O ' HG22 ' A' ' 87' ' ' VAL . 1.1 mmmp? -95.1 -176.76 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.67 121.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 146.0 25.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.97 128.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.89 135.02 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.28 135.23 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -155.59 149.28 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -125.81 157.94 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.09 124.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -75.0 102.37 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.51 74.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -45.46 -42.2 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.74 -30.06 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.3 mt -85.96 142.59 36.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.451 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.82 -44.53 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.85 -176.28 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.48 123.14 60.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 157.32 60.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -96.14 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 80' ' ' VAL . 33.9 mm -91.8 121.69 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -154.26 130.27 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CE3' HD22 ' A' ' 82' ' ' LEU . 79.3 m95 -105.25 120.03 40.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.95 157.92 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 28.9 tttt -117.03 107.82 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.18 -93.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LYS . 6.5 ttmt -52.93 -176.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.756 0.312 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -80.92 43.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.868 0.365 . . . . 0.0 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 59.5 m-85 -73.68 103.95 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 m -118.26 138.7 52.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.8 m-30 -113.05 132.32 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -118.43 108.9 15.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -117.53 123.5 46.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.407 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 2.7 m -130.03 114.5 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -94.28 135.69 35.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -97.68 148.67 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.5 p -89.1 -22.69 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 -71.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 m -63.92 -20.1 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 55.92 44.48 25.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.5 p -121.81 136.39 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.49 109.19 20.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.1 m -86.93 99.16 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 HD12 ' A' ' 47' ' ' ILE . 24.2 m -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -140.99 131.09 24.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 ' CE3' ' A' ' 49' ' ' TRP . 23.9 tp -102.46 120.86 41.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.31 135.84 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.65 115.07 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.77 146.26 18.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 64.25 42.38 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -53.07 139.63 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.18 161.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.41 -32.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.63 -29.89 72.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -27.51 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -69.21 134.37 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.45 -108.45 0.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.3 t80 -144.57 150.69 37.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 76.9 m-85 -138.74 172.4 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -156.51 146.04 20.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 tp -120.14 117.99 29.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.67 136.12 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 45' ' ' PRO . 91.7 t -146.96 114.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -144.29 131.32 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . . . -96.58 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 18.1 mmtp -131.85 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -125.97 19.77 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.8 m -125.2 82.67 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.14 126.84 33.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.839 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.37 123.4 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.1 p -131.49 153.83 49.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.77 157.08 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -130.44 129.66 5.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 2.4 p90 -127.4 -178.62 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.99 132.03 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.37 147.2 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.74 126.14 46.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.31 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.15 141.62 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.139 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.678 HG23 ' HD1' ' A' ' 15' ' ' PHE . 31.3 m -67.03 -21.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.174 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.1 m-85 -94.11 97.53 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 77' ' ' VAL . 12.4 mt -57.32 -32.61 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -150.22 131.06 14.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -97.81 151.41 37.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.518 0.675 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 110.96 2.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.7 137.39 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.2 p -46.52 123.42 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.9 134.45 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.3 p -98.98 124.4 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -129.94 164.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -107.56 144.61 34.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.412 ' HG1' ' HA ' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -49.75 134.41 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.16 -6.33 83.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 1.003 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.4 mmtm -96.0 -178.3 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.58 125.38 53.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.74 154.83 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -148.74 127.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.6 143.33 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.24 130.6 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.39 130.11 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -105.29 154.26 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -139.4 121.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.22 110.41 8.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -33.04 54.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.3 -42.87 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.49 -26.6 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 45' ' ' PRO . 7.0 mt -93.21 146.94 32.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.43 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -127.67 175.61 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -56.21 119.55 28.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.554 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.75 165.54 30.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.2 m -111.88 112.79 24.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.6 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -86.7 125.45 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.4 mtpt -141.4 130.25 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 88.2 m95 -104.21 131.19 51.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -132.47 138.09 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 53' ' ' LYS . 19.3 ttmt -107.34 101.83 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.43 -91.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HG2' ' CD1' ' A' ' 54' ' ' TRP . 8.2 ttpt -56.28 178.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.498 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -75.9 48.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 67' ' ' PHE . 69.0 m-85 -75.19 99.92 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -105.89 139.68 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.549 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 4.7 m-85 -135.14 123.09 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -110.75 117.28 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.888 ' OE2' HG12 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -97.52 135.61 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -134.35 106.59 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -100.48 116.29 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 11.5 m120 -85.08 156.98 20.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.0 p -93.0 -52.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.31 -52.54 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.3 m -70.63 -29.15 65.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.36 44.68 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.484 ' CG2' HD12 ' A' ' 16' ' ' LEU . 9.9 p -122.47 143.14 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -100.58 107.83 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -95.8 102.57 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.888 HG12 ' OE2' ' A' ' 69' ' ' GLU . 12.6 m -102.73 132.36 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -121.18 129.08 53.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.492 HD13 ' CE2' ' A' ' 67' ' ' PHE . 8.1 tp -101.75 109.03 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -107.27 122.29 46.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -115.08 138.59 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.53 148.5 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.1 mttt 60.91 49.91 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -60.12 135.79 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.38 164.9 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.539 HD13 ' HD3' ' A' ' 92' ' ' ARG . 2.3 mm? -56.94 -22.11 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.42 -12.57 84.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -89.77 -44.23 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.79 0.329 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.539 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.9 ptt85 -46.79 147.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.32 -114.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.97 148.92 41.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.726 ' CE1' HD12 ' A' ' 112' ' ' ILE . 57.8 m-85 -131.39 167.41 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -145.78 136.41 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.46 HD11 HG23 ' A' ' 47' ' ' ILE . 38.9 tp -113.5 117.33 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.19 134.25 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 45' ' ' PRO . 53.5 t -140.63 109.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -134.64 145.27 48.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 -75.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.69 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.78 -16.89 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.2 m -90.45 133.02 35.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.84 118.54 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.02 148.0 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -147.55 143.97 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.8 t -110.17 162.34 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -138.25 125.96 3.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -119.51 -175.15 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -141.08 132.22 26.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.726 HD12 ' CE1' ' A' ' 95' ' ' TYR . 14.4 mt -112.04 146.49 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.64 130.75 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.02 100.97 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.81 145.26 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.412 ' HA ' ' HG1' ' A' ' 26' ' ' THR . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.717 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.69 HG21 HD21 ' A' ' 41' ' ' LEU . 10.3 p -68.49 -30.73 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.582 ' HD1' HG13 ' A' ' 14' ' ' VAL . 5.5 m-85 -81.26 97.52 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.98 -32.12 73.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 2.2 tmtp? -137.29 129.12 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 13.0 mttm -102.97 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 101.52 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.45 141.67 48.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -57.17 124.95 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' VAL . 14.0 m -111.85 117.41 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -83.41 129.45 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 m -137.96 168.14 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.53 152.38 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.451 HG23 ' HA ' ' A' ' 88' ' ' VAL . 23.5 m -53.99 130.9 39.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 -8.43 77.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 87' ' ' VAL . 61.1 mmtt -88.62 -175.06 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -114.62 124.71 52.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 149.12 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.44 ' O ' HG11 ' A' ' 22' ' ' VAL . 21.7 t -138.75 129.87 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.72 116.21 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.76 148.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.91 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 17' ' ' LYS . 58.3 mttt -138.33 154.05 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.19 124.42 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.09 111.72 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -73.22 -42.72 41.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.87 -53.56 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.295 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.32 -30.26 59.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.69 HD21 HG21 ' A' ' 14' ' ' VAL . 10.9 mt -88.5 142.34 31.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -38.17 7.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -139.82 -175.38 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -60.06 119.87 45.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.8 161.55 45.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.286 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -105.93 112.72 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.931 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -87.62 132.09 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.883 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.3 mtpt -147.08 139.48 24.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.62 ' CE3' HD22 ' A' ' 82' ' ' LEU . 85.8 m95 -115.51 121.41 42.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.4 154.31 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' LYS . 23.8 ttmt -120.02 93.97 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.34 -88.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.8 ttmm -55.42 -174.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.86 4.02 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.964 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 7.8 ptp180 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.838 0.352 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 67.5 m-85 -77.12 117.77 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.7 m -123.71 126.48 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 8.0 m-85 -113.87 121.52 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -117.7 108.07 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -106.3 124.72 50.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 69' ' ' GLU . 37.8 m -109.59 108.38 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.423 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -88.83 112.57 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -97.45 155.56 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.5 t -102.95 -58.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -68.01 -20.73 65.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 53.97 49.98 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.87 134.13 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -93.2 121.89 35.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 m -107.77 108.43 19.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.931 HG11 HG12 ' A' ' 47' ' ' ILE . 32.9 m -104.49 139.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -129.48 136.17 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.62 HD22 ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -118.17 108.57 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -106.78 137.7 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -130.09 111.41 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -88.98 148.32 20.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 32.1 mtmt 60.77 54.17 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -63.32 157.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -144.23 167.37 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.521 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.7 OUTLIER -55.77 -32.44 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.54 -9.54 74.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.02 -38.94 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.521 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.6 ptt85 -56.38 144.21 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -111.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 1.3 t80 -154.75 146.75 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD12 ' A' ' 112' ' ' ILE . 64.9 m-85 -125.64 179.97 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -149.92 132.65 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 48' ' ' LYS . 68.0 tp -113.07 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -92.42 139.79 30.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 53.6 t -139.04 120.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -147.31 151.5 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.09 -73.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -127.28 -75.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -111.19 -7.42 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.6 m -100.22 128.82 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.62 108.25 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.07 153.41 46.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 p -148.75 157.2 43.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 72.0 m -153.33 121.78 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.81 157.88 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 1.4 p90 -129.93 -175.0 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -139.16 135.8 34.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.673 HD12 ' CE1' ' A' ' 95' ' ' TYR . 48.0 mt -123.38 150.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -126.17 141.16 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 26' ' ' THR . 90.9 t -125.12 91.64 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -79.43 118.77 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 111.064 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 41' ' ' LEU . 81.8 t -74.52 -43.07 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 99' ' ' VAL . 5.2 m-85 -71.64 100.54 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -137.77 131.19 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -102.83 145.55 30.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.92 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 22' ' ' VAL . 64.5 m-20 -79.09 129.0 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 m -37.51 133.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 22' ' ' VAL . 35.4 m -123.32 121.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -87.06 113.69 23.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -117.24 167.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.99 139.45 47.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -47.14 136.03 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.92 84.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.84 ' O ' HG22 ' A' ' 87' ' ' VAL . 34.7 mmtm -98.11 -175.86 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.55 120.89 41.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.4 148.17 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.61 124.65 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.83 143.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.25 136.76 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -163.37 145.41 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -120.6 161.44 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -141.75 122.01 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -73.65 111.43 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -74.77 -53.5 6.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 24.8 mtpt -35.05 -69.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -39.97 -44.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 45' ' ' PRO . 29.1 mt -67.03 143.54 97.97 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.43 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.5 Cg_endo -69.68 -49.05 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.647 ' C ' ' HB1' ' A' ' 101' ' ' ALA . 5.5 t70 -125.52 -175.66 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -63.1 119.65 54.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 148.18 64.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -107.59 112.86 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 97' ' ' LEU . 4.1 mp -93.73 130.3 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -143.99 123.65 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.592 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 87.8 m95 -89.87 113.59 25.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.29 153.17 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 53' ' ' LYS . 15.8 ttmm -109.64 91.26 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.31 -90.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' LYS . 28.3 mtmt -52.5 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -80.23 43.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.838 0.352 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -78.16 109.89 12.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -119.01 135.43 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.592 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 7.6 m-85 -120.21 130.32 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -118.77 107.82 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.85 118.36 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -110.05 102.68 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -93.2 120.87 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 27.7 m-80 -96.87 154.6 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.0 p -100.05 -12.7 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.78 -64.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' ASN . 2.1 m -70.96 -1.98 13.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.454 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m120 35.93 51.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.18 135.21 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -102.22 102.48 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.2 m -88.49 113.89 24.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.36 144.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.98 123.92 16.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 84' ' ' ILE . 25.0 tp -94.81 120.72 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -114.39 116.43 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 82' ' ' LEU . 49.4 mt -116.99 124.48 73.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.18 151.7 17.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp 56.51 43.18 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -52.72 140.49 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.56 160.27 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.9 mm? -49.68 -34.02 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -26.97 71.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.827 ' OD2' HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -70.42 -36.19 73.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.426 ' HD3' HD13 ' A' ' 89' ' ' LEU . 5.6 ptt-85 -59.89 139.46 57.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.86 -95.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.8 t80 -165.35 144.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.1 m-85 -125.53 178.97 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.953 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -151.68 143.21 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 47' ' ' ILE . 30.5 tp -121.13 119.5 32.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -97.95 139.22 34.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 15' ' ' PHE . 47.4 t -139.49 117.05 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -147.53 132.57 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 43' ' ' ASP . . . -113.19 -75.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 13.6 tptp -115.17 -69.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -16.43 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.5 m -80.41 135.38 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.1 p -135.14 104.92 6.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.45 148.47 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 p -148.88 152.67 36.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.6 p -120.48 157.91 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.15 121.24 2.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -124.42 175.92 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 112' ' ' ILE . 0.3 OUTLIER -133.92 140.9 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 95' ' ' TYR . 19.0 mt -121.04 146.41 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.94 135.2 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.827 HG21 ' OD2' ' A' ' 91' ' ' ASP . 72.4 t -118.86 102.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.3 135.46 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.129 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' HD1' ' A' ' 15' ' ' PHE . 15.5 m -88.34 -24.62 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.604 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.4 m-85 -101.52 92.63 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.23 -36.06 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -147.79 133.59 19.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -104.19 150.92 38.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 121.21 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.11 131.65 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.7 p -42.59 123.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -111.8 135.56 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -101.17 115.52 30.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 m -120.92 165.4 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.86 148.76 23.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 88' ' ' VAL . 9.8 m -58.14 127.56 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 12.33 57.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HG22 ' A' ' 87' ' ' VAL . 21.1 mmmt -113.23 -176.6 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -108.02 120.67 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.31 148.85 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.63 141.22 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 89.5 t -136.24 133.76 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.6 132.39 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.91 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -108.97 155.82 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -139.94 120.87 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -72.57 111.71 7.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -70.86 -50.85 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -38.04 -58.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -48.33 -41.7 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.4 mt -74.12 140.51 76.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -42.12 3.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.301 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -139.28 177.78 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -49.28 120.52 10.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.73 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -106.93 112.95 26.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.775 HD12 HG11 ' A' ' 80' ' ' VAL . 25.9 mm -90.68 111.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 6.6 mtpp -148.04 137.62 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.758 ' CE3' HD22 ' A' ' 82' ' ' LEU . 76.7 m95 -109.33 156.29 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 79.7 m-85 -152.63 160.41 43.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -120.95 108.47 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 37.15 -91.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.95 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -82.78 24.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.0 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.889 0.376 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -71.06 99.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.2 m -107.54 145.65 32.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -131.88 120.52 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -120.63 112.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.37 120.72 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -126.0 124.22 40.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -102.76 136.71 42.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 72' ' ' ASN . 1.5 m-80 -92.65 152.13 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -86.97 -34.12 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -59.29 -38.11 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 68.56 45.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.26 136.28 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.28 103.11 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 m -83.08 105.3 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.775 HG11 HD12 ' A' ' 47' ' ' ILE . 26.2 m -105.47 142.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -134.71 145.54 48.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.5 tp -120.95 105.93 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.19 129.18 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.5 mt -125.29 111.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.02 156.15 26.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt 56.34 49.96 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.7 m -66.83 137.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -127.7 167.71 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.76 -27.73 43.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.18 -23.54 77.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' ARG . 38.6 m-20 -78.21 -55.85 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 5.4 ptt85 -35.75 145.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.26 -111.5 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -148.09 153.33 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 112' ' ' ILE . 29.7 m-85 -140.1 178.09 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.16 140.07 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.89 120.75 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -91.7 130.51 37.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -141.98 109.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -143.91 118.16 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.62 -71.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -126.7 -66.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.99 -28.61 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.6 m -73.76 121.72 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.6 112.51 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.528 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -137.35 131.46 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.0 p -139.54 143.06 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.3 t -107.72 160.37 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.54 119.15 2.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 13.0 p90 -117.75 -179.75 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 110' ' ' PHE . 2.3 m-80 -143.78 133.49 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 95' ' ' TYR . 62.3 mt -111.85 154.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.8 t70 -129.11 137.92 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.53 HG12 ' OG1' ' A' ' 26' ' ' THR . 60.7 t -120.5 92.5 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.65 125.0 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 111.07 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 41' ' ' LEU . 60.9 t -91.07 -41.46 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.515 ' HE2' HD23 ' A' ' 97' ' ' LEU . 3.3 m-85 -74.59 88.89 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.54 -31.12 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -150.66 128.75 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.1 mppt? -100.32 148.89 35.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.82 4.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.61 146.57 27.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 p -53.07 124.43 14.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.63 129.74 73.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -97.9 133.64 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.15 165.73 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -110.81 143.28 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.27 133.01 16.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 2.5 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' O ' HG22 ' A' ' 87' ' ' VAL . 17.1 mmtp -106.5 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.49 123.73 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.96 147.38 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.99 134.79 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.75 145.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.41 136.98 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.08 131.37 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -112.45 152.86 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -133.29 126.07 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.46 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.11 -42.92 34.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -49.71 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.714 0.293 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -48.12 -30.45 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 14' ' ' VAL . 28.5 mt -82.89 145.47 50.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.0 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -143.11 -178.63 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -56.39 121.2 41.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.5 Cg_endo -69.79 -176.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -124.85 113.34 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.873 HG12 HG11 ' A' ' 80' ' ' VAL . 3.8 mp -92.11 116.9 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -143.99 124.45 13.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 64.1 m95 -100.68 127.46 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -117.17 140.85 49.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' LYS . 69.8 tttt -104.79 109.61 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.07 -91.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' LYS . 7.9 ttmt -51.76 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.83 22.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -80.03 96.47 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 m -107.63 123.07 47.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 37.5 m-85 -108.32 125.91 52.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -114.04 110.08 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -114.8 118.72 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -121.64 109.18 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 3.5 p80 -89.04 127.82 35.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -85.9 155.16 21.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.4 p -95.55 -45.36 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.58 -67.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -66.05 -29.25 69.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.8 t30 65.62 37.7 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.62 141.84 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.23 124.13 42.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.446 HG22 ' OE1' ' A' ' 81' ' ' GLU . 46.2 m -107.15 107.3 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.873 HG11 HG12 ' A' ' 47' ' ' ILE . 30.1 m -108.79 137.65 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.446 ' OE1' HG22 ' A' ' 79' ' ' THR . 2.1 mp0 -137.03 130.02 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 tp -99.42 119.99 38.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -117.83 133.25 56.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.3 mt -130.69 126.16 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.45 155.92 21.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp 51.36 43.86 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -44.83 142.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.18 158.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.03 -33.48 18.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.79 -24.78 75.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -27.74 62.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -66.37 139.53 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.71 -112.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -151.91 155.06 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.934 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 47.6 m-85 -133.08 171.93 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -140.09 132.01 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.515 HD23 ' HE2' ' A' ' 15' ' ' PHE . 58.0 tp -109.19 114.48 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -93.27 136.37 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 92.3 t -143.31 116.4 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -143.31 130.31 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.47 -75.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -127.88 -74.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.3 -19.96 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 87.1 m -85.5 136.47 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.44 117.81 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -141.45 143.28 33.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.1 p -149.66 141.76 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.8 m -133.07 140.78 47.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -116.45 153.01 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.1 p90 -125.61 179.27 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -131.16 128.26 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.3 mt -116.88 148.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.37 140.26 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.7 t -123.31 96.05 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.25 131.62 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.09 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 41' ' ' LEU . 58.0 t -54.56 -40.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -71.12 87.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.38 -43.52 64.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -133.01 131.22 40.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -101.74 143.36 26.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' HG13 ' A' ' 22' ' ' VAL . 25.2 m-20 -94.39 137.61 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 t -43.2 145.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 20' ' ' ASP . 21.9 m -139.66 121.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 117.08 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.7 m -117.73 168.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -96.7 135.43 38.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.675 ' OG1' HG12 ' A' ' 114' ' ' VAL . 29.4 m -46.19 133.13 9.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.7 -14.11 65.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.77 ' O ' HG22 ' A' ' 87' ' ' VAL . 16.5 mmtp -89.57 -175.41 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -112.48 120.71 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.69 153.91 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' NE2' ' A' ' 83' ' ' HIS . 91.1 t -144.11 135.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 83.7 t -128.5 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -110.05 135.52 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.02 124.79 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -107.71 154.32 21.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 41' ' ' LEU . 84.4 t -133.22 127.3 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.48 ' O ' HD12 ' A' ' 41' ' ' LEU . 16.9 t-20 -71.57 117.48 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.28 -48.97 7.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -49.31 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -42.14 -46.83 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.6 HD21 HG11 ' A' ' 14' ' ' VAL . 13.8 mt -65.14 147.18 98.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.47 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.72 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -139.59 -177.82 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -50.8 114.8 5.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.6 m -128.83 112.75 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 3.9 mp -89.22 134.68 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -149.51 122.99 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.803 ' CE3' HD22 ' A' ' 82' ' ' LEU . 66.5 m95 -99.9 129.75 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.16 157.31 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' GLY . 50.0 tttt -118.65 112.69 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.65 -100.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.34 48.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.829 0.347 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -54.46 105.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.8 m -105.55 161.2 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 25.8 m-85 -141.07 120.81 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -112.22 110.84 21.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -119.78 126.58 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.0 p -122.82 118.27 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.16 122.68 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.8 146.45 23.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 m -87.3 -45.45 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.53 -48.08 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -71.55 -42.67 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.3 t30 69.92 42.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.6 p -126.57 139.55 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.59 100.42 11.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.9 m -87.14 108.18 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 18.7 m -106.65 140.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -136.98 122.61 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.803 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.0 tp -93.12 119.84 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.817 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.2 m170 -115.59 128.92 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 mt -117.33 107.97 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.83 143.4 21.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 61.9 50.79 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.7 m -57.17 150.79 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 26' ' ' THR . 31.1 m -138.16 162.93 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.98 -35.39 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.59 -23.62 67.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' ARG . 71.8 m-20 -77.02 -56.22 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.528 ' HB3' HG23 ' A' ' 114' ' ' VAL . 3.5 ptt85 -36.54 137.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.76 -106.68 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -153.53 158.96 42.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.382 . . . . 0.0 110.926 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 112' ' ' ILE . 84.6 m-85 -141.55 177.2 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -142.61 143.77 32.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.3 tp -122.12 108.55 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.86 134.99 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.6 t -139.44 127.62 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -150.98 127.58 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.46 -74.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' CG ' ' HB2' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -125.86 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -117.46 -30.12 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.0 m -71.63 140.37 49.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -137.88 113.22 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -138.22 141.86 39.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -143.69 143.84 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 1.9 t -118.53 159.79 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.03 128.21 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 10.4 p90 -120.07 175.95 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -137.74 125.48 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.61 HD12 ' CE1' ' A' ' 95' ' ' TYR . 67.6 mt -110.77 148.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.71 147.96 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.675 HG12 ' OG1' ' A' ' 26' ' ' THR . 47.7 t -129.47 94.79 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.37 123.68 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -88.07 -50.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -65.12 88.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.13 -37.34 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 8.8 tmtm? -129.56 128.62 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 30.3 mttt -99.71 141.05 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.24 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.94 140.29 47.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.7 p -53.77 133.49 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 m -119.75 127.26 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 p -93.17 125.72 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -134.86 168.23 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -111.09 143.27 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -43.65 141.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.38 -8.88 62.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.843 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.0 mmtt -91.47 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 121.35 36.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 155.59 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -147.86 124.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -117.98 132.31 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.631 HG22 ' OE2' ' A' ' 81' ' ' GLU . 40.8 t -113.4 136.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.42 157.77 43.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.432 ' N ' ' HB3' ' A' ' 17' ' ' LYS . 33.3 mmtt -125.37 154.99 41.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.2 t -139.92 119.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.53 116.01 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.18 -36.67 30.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -52.21 -66.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -41.15 -41.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.59 145.16 78.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.83 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.46 179.92 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -54.87 121.48 35.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.76 178.26 4.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 48' ' ' LYS . 99.1 m -111.72 112.81 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 HG11 ' A' ' 80' ' ' VAL . 31.0 mm -88.93 120.21 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.634 ' HG3' HG22 ' A' ' 46' ' ' THR . 18.3 mtmm -149.3 129.82 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.644 ' CE3' HD22 ' A' ' 82' ' ' LEU . 86.0 m95 -104.7 117.31 33.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.8 143.24 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 95' ' ' TYR . 29.1 tttm -97.02 107.4 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.06 -93.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.5 ttmm -51.68 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -76.24 47.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -72.56 111.22 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -118.09 157.8 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.643 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 5.1 m-85 -146.62 136.97 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.77 109.89 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -104.55 138.78 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -130.9 118.52 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.5 122.17 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.26 140.36 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.3 p -79.71 -41.41 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.68 -58.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.7 m -59.65 -39.55 84.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.97 33.88 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG21 ' HD2' ' A' ' 35' ' ' LYS . 7.2 p -122.67 148.12 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.31 112.15 25.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 m -88.35 102.76 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.508 HG11 HD12 ' A' ' 47' ' ' ILE . 33.5 m -111.67 128.76 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.631 ' OE2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -122.53 167.86 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.644 HD22 ' CE3' ' A' ' 49' ' ' TRP . 36.2 tp -135.11 110.67 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -104.45 125.23 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -122.87 105.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.09 150.6 22.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 mttt 55.37 52.5 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.8 m -62.29 148.76 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.572 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.5 m -132.67 169.98 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.77 -34.51 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.2 -22.71 72.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.92 58.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -59.6 136.27 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' ASN . . . 153.17 -119.25 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.34 151.38 37.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.622 ' CE1' HD12 ' A' ' 112' ' ' ILE . 68.5 m-85 -130.79 165.79 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -132.26 131.43 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.0 tp -109.18 113.31 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -91.73 137.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 45' ' ' PRO . 86.5 t -146.93 111.66 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.0 OUTLIER -142.76 156.24 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.425 ' N ' ' HD2' ' A' ' 100' ' ' LYS . . . -130.84 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -124.4 -74.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.41 -15.08 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.3 m -94.87 123.65 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 t -131.31 109.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.59 145.51 51.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.2 p -142.76 145.38 33.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 4.1 t -128.72 135.9 49.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.27 141.81 17.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.0 p90 -121.81 -178.03 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t-20 -137.06 139.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 95' ' ' TYR . 66.8 mt -128.2 147.83 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -125.14 139.69 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 88' ' ' VAL . 58.9 t -122.47 95.53 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.81 130.62 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 111.068 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.674 HG11 HD21 ' A' ' 41' ' ' LEU . 99.2 t -71.85 -46.05 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CE2' HD23 ' A' ' 97' ' ' LEU . 4.4 m-85 -69.23 91.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.0 -33.47 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.01 128.65 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -96.73 146.34 31.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.76 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.04 138.36 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -48.62 146.79 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -138.71 119.36 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -87.29 122.74 31.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.2 m -123.56 167.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -104.64 136.91 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.672 ' OG1' HG12 ' A' ' 114' ' ' VAL . 25.4 m -44.73 132.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 -13.08 68.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.86 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.5 mmtt -89.69 -175.74 4.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.48 122.94 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.05 156.47 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 83' ' ' HIS . 89.8 t -147.17 138.42 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 110' ' ' PHE . 93.3 t -133.08 137.49 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.59 138.62 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.41 135.85 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -117.07 154.25 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.28 119.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.429 ' CG ' ' HG3' ' A' ' 40' ' ' GLU . 9.5 t-20 -71.73 109.2 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.54 -32.44 64.6 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.11 -53.89 52.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 37' ' ' ASN . 10.9 mt-10 -51.31 -39.14 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 104' ' ' THR . 6.6 mt -79.7 141.71 56.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.52 2.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.29 176.42 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.02 121.71 57.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.78 -172.17 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -132.14 119.26 20.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -101.67 107.06 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -135.87 124.26 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.401 ' HZ3' ' CE1' ' A' ' 110' ' ' PHE . 72.1 m95 -92.23 135.62 33.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -126.98 149.58 49.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 32.0 ttmt -117.4 99.86 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.32 -89.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -51.64 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -82.21 39.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -55.13 108.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -116.36 159.37 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -148.58 121.61 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.66 133.17 56.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HG2' HG12 ' A' ' 80' ' ' VAL . 1.3 tm-20 -140.15 121.54 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.8 p -120.16 126.88 51.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.7 p80 -106.98 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -86.42 154.64 21.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 m -91.85 -54.69 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -50.84 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.45 ' HB3' HG12 ' A' ' 77' ' ' VAL . 1.1 t -56.79 -43.59 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 70.47 35.43 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 75' ' ' SER . 6.7 p -125.27 144.61 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -104.11 125.57 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.3 m -109.87 109.38 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.823 HG11 HG12 ' A' ' 47' ' ' ILE . 26.1 m -112.52 144.91 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -146.0 137.22 24.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 84' ' ' ILE . 31.5 tp -105.19 123.76 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.5 m-70 -117.69 121.23 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.454 HD11 HD21 ' A' ' 82' ' ' LEU . 31.5 mt -120.99 106.32 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.76 147.14 20.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt 66.21 39.12 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.0 m -49.8 160.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.601 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.9 m -149.23 166.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.09 -39.21 63.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.12 -21.42 61.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.41 -50.61 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -39.21 139.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.48 -117.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -153.03 144.74 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 112' ' ' ILE . 54.0 m-85 -120.21 173.8 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -147.94 129.27 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.486 HD23 ' CE2' ' A' ' 15' ' ' PHE . 47.6 tp -101.25 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -91.8 126.36 36.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.69 111.65 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -124.4 152.91 42.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 104' ' ' THR . . . -145.65 178.02 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' ALA . 26.9 mmtt -37.63 -68.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.6 26.28 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.945 HG21 HD23 ' A' ' 41' ' ' LEU . 85.1 m -135.78 110.31 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.19 120.2 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -149.98 149.74 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -148.63 142.02 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 74.2 m -138.26 136.64 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.21 162.09 12.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.8 OUTLIER -128.51 -175.0 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -138.29 137.78 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 95' ' ' TYR . 53.5 mt -131.08 151.54 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -130.7 138.71 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.672 HG12 ' OG1' ' A' ' 26' ' ' THR . 98.0 t -117.19 98.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.58 126.57 35.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.935 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.773 HG11 HD21 ' A' ' 41' ' ' LEU . 58.2 t -72.52 -45.15 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.451 ' HE2' HD23 ' A' ' 97' ' ' LEU . 7.0 m-85 -71.81 98.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.72 -43.38 97.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -133.31 130.14 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -98.56 142.7 25.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 148.44 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.9 p -54.93 142.17 30.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 112' ' ' ILE . 35.1 m -136.86 117.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -88.11 122.18 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.72 167.22 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.7 139.03 35.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.743 ' OG1' HG12 ' A' ' 114' ' ' VAL . 21.5 m -50.09 129.83 21.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.5 -13.3 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.7 mmtp -89.08 -175.01 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.37 120.55 42.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.65 154.52 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.46 139.44 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -138.1 132.33 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -108.65 141.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.15 128.59 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -104.32 154.74 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -137.51 121.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -72.77 113.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.95 -48.2 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.68 -61.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -46.64 -43.55 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.773 HD21 HG11 ' A' ' 14' ' ' VAL . 18.7 mt -70.75 141.33 87.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.73 7.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -143.84 -177.28 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -57.23 118.81 26.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.79 164.87 32.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 48' ' ' LYS . 86.3 m -101.28 113.23 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.44 HD12 HG11 ' A' ' 80' ' ' VAL . 22.7 mm -90.72 110.9 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 46' ' ' THR . 70.0 mttt -141.09 125.42 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -95.25 146.06 24.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -142.82 158.38 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LYS . 21.2 ttmt -122.95 100.96 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.36 -93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.1 ttmt -50.18 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -81.67 39.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HG3' ' CD1' ' A' ' 65' ' ' PHE . 6.7 ptm180 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 41.5 m-85 -74.41 104.81 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -112.07 123.0 49.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -110.6 118.2 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -111.5 133.71 53.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -133.97 123.97 25.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -132.17 116.26 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -101.86 135.85 42.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.4 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -74.29 -54.9 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.97 -53.21 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -45.01 95.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 72.49 42.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.26 141.4 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -102.18 111.84 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.1 m -93.81 96.5 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 47' ' ' ILE . 32.2 m -100.82 134.21 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -132.94 132.75 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -105.15 119.83 40.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.93 121.64 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -112.7 107.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.21 142.38 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 64' ' ' ARG . 82.3 mttt 62.83 49.53 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 28' ' ' LYS . 12.6 m -57.4 156.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.669 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.1 m -146.31 161.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -48.31 -36.68 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.07 -29.71 59.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 92' ' ' ARG . 2.1 m-20 -76.64 -53.23 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.8 ptt-85 -35.32 136.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.771 ' CE1' HD12 ' A' ' 112' ' ' ILE . 25.8 m-85 -114.21 177.41 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -150.9 136.11 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.451 HD23 ' HE2' ' A' ' 15' ' ' PHE . 44.2 tp -111.68 119.1 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -95.43 137.93 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 45' ' ' PRO . 62.5 t -143.41 132.13 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -162.27 126.04 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.76 -74.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -122.83 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.87 -32.69 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.4 m -67.63 141.35 56.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 p -138.49 118.41 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -141.96 132.9 25.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.5 p -139.05 138.65 37.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.64 162.39 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -139.3 125.78 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 3.8 p90 -115.91 179.84 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 94' ' ' TYR . 4.1 t-20 -139.19 140.24 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.771 HD12 ' CE1' ' A' ' 95' ' ' TYR . 57.7 mt -129.7 143.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.23 126.05 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.743 HG12 ' OG1' ' A' ' 26' ' ' THR . 82.5 t -101.9 93.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.6 119.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 111.08 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.6 HG23 ' HD1' ' A' ' 15' ' ' PHE . 17.0 m -76.96 -25.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.6 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.5 m-85 -80.37 92.09 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.87 -34.36 62.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 1.2 tmtp? -145.42 128.82 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -102.97 145.63 30.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 22' ' ' VAL . 82.6 m-20 -92.21 133.68 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 t -38.09 146.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.8 m -138.27 119.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 p -88.15 113.6 23.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HG21 ' A' ' 87' ' ' VAL . 4.0 m -117.1 165.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.4 144.35 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 88' ' ' VAL . 8.0 m -52.58 131.2 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.45 13.15 63.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.779 ' O ' HG22 ' A' ' 87' ' ' VAL . 22.3 mmmt -112.8 -175.85 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -116.1 120.83 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 151.44 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG13 ' NE2' ' A' ' 83' ' ' HIS . 75.9 t -141.03 127.66 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 92.2 t -119.31 148.81 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.86 142.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -164.19 142.07 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -113.55 156.88 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.75 118.62 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -72.19 101.27 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -68.79 -46.89 58.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -39.88 -58.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.96 -41.73 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.769 HD12 ' HA2' ' A' ' 38' ' ' GLY . 10.0 mt -69.03 140.61 91.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.435 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -26.7 27.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -155.68 179.39 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -53.76 117.88 13.6 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.75 171.82 13.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -116.91 113.28 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.67 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -93.98 126.54 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -145.76 123.18 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CE3' HD22 ' A' ' 82' ' ' LEU . 89.6 m95 -93.17 123.75 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.54 151.4 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 49.9 tttt -117.88 104.14 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.9 -92.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 15.8 ttpp -47.83 175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.3 p-90 -76.03 48.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -59.59 107.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -126.19 157.9 36.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -138.57 140.16 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -130.9 113.79 14.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HG3' HG12 ' A' ' 80' ' ' VAL . 20.1 tt0 -112.61 132.59 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -125.96 101.88 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.2 p80 -90.28 121.58 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.41 152.36 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 t -88.61 -42.92 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -55.88 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -67.81 -34.74 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.71 46.97 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.22 138.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.87 102.17 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.4 m -86.32 106.97 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 47' ' ' ILE . 22.2 m -103.13 139.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.11 126.28 29.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.603 HD22 ' CE3' ' A' ' 49' ' ' TRP . 22.8 tp -96.73 112.34 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.5 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -106.27 124.5 49.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.1 120.73 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.99 153.13 19.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mttp 57.94 49.89 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -65.33 136.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 26' ' ' THR . 15.8 m -128.44 168.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.97 -29.48 43.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.2 -19.35 73.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' ARG . 5.0 m-20 -83.32 -54.51 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.0 ptt85 -36.33 141.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.83 -109.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -155.19 146.31 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.891 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 72.3 m-85 -126.25 177.21 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -152.77 141.99 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 15' ' ' PHE . 45.2 tp -115.68 121.8 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -102.48 133.09 48.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -139.18 135.9 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -164.81 125.71 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.15 -70.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 30.4 mmtt -131.58 -64.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.56 -32.0 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.0 m -71.38 140.39 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.7 p -137.13 113.3 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -135.52 144.75 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -148.34 143.55 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.3 m -134.3 138.0 44.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.61 151.93 17.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -127.37 -175.37 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.94 130.52 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.554 HD12 ' CE1' ' A' ' 95' ' ' TYR . 77.0 mt -121.74 140.72 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.73 128.37 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.433 HG12 ' OG1' ' A' ' 26' ' ' THR . 92.5 t -104.98 90.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.15 130.19 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 41' ' ' LEU . 96.9 t -55.51 -50.72 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.18 95.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.28 -42.25 81.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -134.86 128.72 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -100.0 143.26 26.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.82 133.21 24.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.15 150.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -53.54 145.86 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.3 m -144.45 117.2 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 113' ' ' ASP . 52.1 m -96.17 107.98 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.4 m -104.3 168.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.12 137.01 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.2 m -44.95 134.06 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.32 -13.65 67.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -90.26 179.8 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.81 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 149.44 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.1 137.48 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 79.0 t -133.8 125.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.6 138.3 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.69 126.64 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -105.36 153.25 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.62 119.26 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 42.4 t-20 -71.48 105.57 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -69.9 -47.31 47.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -47.32 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 49.9 mm-40 -45.76 -44.38 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 14' ' ' VAL . 13.5 mt -68.08 146.1 97.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.48 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -44.67 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -140.08 176.28 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -49.6 116.23 5.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.75 161.98 43.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 m -108.52 112.58 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.6 HG23 HD11 ' A' ' 97' ' ' LEU . 4.7 mp -90.51 130.14 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 26.9 mttm -152.58 125.65 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -96.98 131.78 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 48' ' ' LYS . 6.7 m-85 -130.71 150.25 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' LYS . 16.7 ttmt -103.27 89.04 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.83 -86.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.8 mtmt -51.11 -176.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.02 38.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.821 0.343 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.445 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 38.0 m-85 -69.73 104.93 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -114.59 161.62 17.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -138.05 121.58 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -114.61 111.48 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -113.98 127.52 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -117.31 111.92 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -97.77 118.15 33.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HB2' ' A' ' 75' ' ' SER . 82.3 m-20 -90.63 149.64 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 p -83.72 -62.05 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.03 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 72' ' ' ASN . 58.8 m -71.19 -43.61 67.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t30 67.69 41.9 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.16 142.87 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -104.11 102.13 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 m -87.64 102.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 HG12 ' A' ' 47' ' ' ILE . 21.8 m -101.15 134.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -130.99 119.31 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 tp -88.66 123.41 33.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -119.49 116.61 26.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -113.25 103.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.25 149.32 27.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt 61.94 48.17 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' LYS . 5.8 m -58.13 146.9 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.1 m -136.01 162.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.51 -39.19 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.3 -25.01 62.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.98 -50.48 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.34 138.83 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.3 -105.5 0.27 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 3.0 t80 -151.05 155.56 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.669 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.0 m-85 -139.87 175.38 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -157.76 143.54 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 47' ' ' ILE . 29.0 tp -117.76 115.57 25.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -91.54 133.2 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 45' ' ' PRO . 82.1 t -141.46 122.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.89 135.65 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.03 -72.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 16.5 mmtp -124.41 -64.15 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -133.82 24.38 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.3 m -125.35 110.89 14.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.0 p -107.48 114.13 27.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.56 118.46 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -127.23 150.48 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.02 131.29 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.89 147.8 17.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -129.21 -175.49 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -137.76 122.5 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.669 HD12 ' CE1' ' A' ' 95' ' ' TYR . 71.8 mt -113.2 146.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 23' ' ' SER . 2.1 t70 -123.36 141.94 51.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -122.78 90.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.79 115.95 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 111.084 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 ' OD2' ' A' ' 106' ' ' ASP . 6.6 m -68.38 -32.27 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -91.43 89.55 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.47 -33.41 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -146.46 129.23 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -103.2 151.21 38.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.4 Cg_endo -69.71 102.46 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.05 137.56 40.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 p -44.6 130.67 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.24 123.72 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 p -95.16 108.09 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 87' ' ' VAL . 1.8 m -112.67 167.56 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -106.88 147.1 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.8 m -55.03 129.99 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -1.91 68.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.828 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.6 mmmt -101.13 -175.32 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.65 122.55 47.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.86 154.77 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.439 HG22 ' ND1' ' A' ' 83' ' ' HIS . 96.1 t -149.1 132.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 57.6 t -126.37 143.31 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.66 134.31 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.09 9.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -108.38 152.55 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -133.2 122.45 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.45 101.65 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -61.26 -50.7 64.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 48.6 mttt -40.09 -49.72 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -55.3 -37.3 67.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 45' ' ' PRO . 4.5 mt -84.7 142.27 39.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -36.67 10.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.22 170.79 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -46.24 116.33 3.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.8 -179.62 3.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.445 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 53.9 m -119.23 112.93 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.689 HG23 HD11 ' A' ' 97' ' ' LEU . 4.0 mp -95.26 124.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 46' ' ' THR . 67.5 mttm -142.06 123.08 14.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.98 118.95 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -111.33 147.33 35.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' LYS . 38.9 tttt -111.34 95.32 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.3 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.9 ttmt -53.03 -174.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.48 30.2 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 3.4 m-85 -110.59 123.29 49.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -121.76 124.34 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.2 m-85 -113.73 138.39 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -134.6 116.53 15.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -108.1 115.94 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -107.23 105.9 16.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.92 139.52 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -108.48 157.01 18.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.7 m -107.38 -23.5 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.85 -64.94 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -67.05 -13.73 62.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 m-20 50.89 43.98 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -122.12 145.74 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.5 109.77 21.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 107.26 18.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.44 127.41 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -122.3 149.13 44.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tp -123.0 112.12 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' HG22 ' A' ' 31' ' ' VAL . 16.0 m-70 -104.89 137.74 42.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -131.39 108.92 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.48 155.24 29.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.9 mttt 51.97 53.64 12.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -68.07 135.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.761 ' HA ' HG23 ' A' ' 26' ' ' THR . 16.7 m -126.69 166.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -34.75 64.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.67 -8.0 59.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -94.28 -36.78 11.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HB3' HG23 ' A' ' 114' ' ' VAL . 5.2 ptt-85 -53.54 134.13 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.29 -130.27 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 2.3 t80 -132.52 137.79 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 110' ' ' PHE . 89.1 m-85 -116.85 154.45 30.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.85 137.37 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.689 HD11 HG23 ' A' ' 47' ' ' ILE . 32.6 tp -119.38 125.01 47.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -105.7 138.89 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' A' ' 45' ' ' PRO . 75.5 t -143.0 110.07 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -141.67 129.79 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -125.21 -74.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.87 -16.96 14.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 80.2 m -85.93 129.22 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.3 p -127.38 117.49 22.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -142.87 138.9 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -143.24 147.13 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.68 124.8 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.82 174.23 19.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 95' ' ' TYR . 1.0 OUTLIER -146.68 -176.91 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.519 ' ND2' ' N ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -139.39 133.06 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.44 150.29 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.66 126.19 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HB3' ' A' ' 92' ' ' ARG . 23.9 t -107.91 95.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.13 126.51 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.135 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.9 p -106.96 156.72 18.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.7 p -145.39 173.15 12.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.84 -145.46 16.8 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -164.31 171.39 14.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -153.21 165.76 34.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.23 134.41 3.0 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.19 170.79 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 10' ' ' GLU . 41.9 mm-40 -90.47 128.21 36.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 9' ' ' GLU . 2.2 mp0 -35.59 144.02 0.25 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.636 0.732 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 134.17 27.43 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.334 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.8 m -83.22 45.47 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.44 155.58 25.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.488 HG13 ' HD1' ' A' ' 15' ' ' PHE . 2.1 p -66.27 -39.21 83.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 111.155 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.614 ' HE2' HD23 ' A' ' 97' ' ' LEU . 4.1 m-85 -73.4 87.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -57.36 -31.83 66.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 5.4 tmtt? -136.83 128.94 29.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 84.9 mttt -102.55 143.35 26.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 0.0 110.898 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 93.38 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -66.76 133.22 49.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.3 m -45.9 127.26 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.0 m -113.35 123.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -95.12 109.97 21.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.506 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.9 m -113.73 168.07 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.146 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -105.49 143.99 32.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.4 m -48.58 137.24 12.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.06 84.09 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.445 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.818 ' O ' HG22 ' A' ' 87' ' ' VAL . 72.5 mmtt -95.37 -179.94 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.71 120.82 42.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.93 155.18 20.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.7 t -150.95 127.35 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.1 t -114.77 145.22 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.5 t -123.37 131.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.0 151.99 29.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -129.16 162.43 27.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -141.16 124.26 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -75.51 102.88 5.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.13 -42.8 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -46.64 -52.55 13.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.946 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -57.82 -32.29 67.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.6 mt -83.52 142.63 43.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.591 0.71 . . . . 0.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.456 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.0 Cg_endo -69.68 -45.32 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -128.78 177.11 7.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 tttp -59.72 121.88 61.02 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.598 0.713 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.476 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.4 Cg_endo -69.7 159.77 52.22 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.728 2.286 . . . . 0.0 112.36 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.456 HG22 ' HG3' ' A' ' 48' ' ' LYS . 97.7 m -108.57 113.21 26.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.154 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.9 HG12 HG11 ' A' ' 80' ' ' VAL . 2.9 mp -91.69 118.11 36.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.456 ' HG3' HG22 ' A' ' 46' ' ' THR . 43.2 mtmt -138.4 126.6 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.503 ' CB ' HD12 ' A' ' 57' ' ' LEU . 79.0 m95 -98.85 124.76 43.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -118.8 158.38 25.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.56 ' HB2' HD21 ' A' ' 57' ' ' LEU . 47.1 tttt -121.44 120.1 33.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.68 -101.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' CG ' ' HG ' ' A' ' 55' ' ' LEU . 5.2 ptpp? -57.5 -173.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.926 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -76.11 46.81 0.42 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HG ' ' CG ' ' A' ' 53' ' ' LYS . 9.0 mt -76.09 -175.26 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -148.37 115.49 6.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.56 HD21 ' HB2' ' A' ' 51' ' ' LYS . 10.2 mt -90.18 167.35 12.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 61.0 62.11 6.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.8 t -71.99 -47.61 50.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.838 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.07 158.92 40.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -82.45 61.03 5.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 177.9 42.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -130.46 159.02 38.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.757 0.313 . . . . 0.0 111.075 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -38.51 -35.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -73.56 110.92 8.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -114.18 152.79 30.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -133.91 128.21 34.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 6.8 mmmm -121.27 108.32 13.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -121.3 122.01 38.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.3 t -124.32 134.19 53.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 2.1 p80 -110.12 125.15 52.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -83.71 150.72 25.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 83.4 p -86.14 -44.34 12.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.34 -50.42 6.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.084 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.8 m -63.8 -48.13 78.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 74.67 34.99 0.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.32 133.65 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.187 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -92.48 108.22 19.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.937 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.4 m -94.27 108.42 20.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.9 HG11 HG12 ' A' ' 47' ' ' ILE . 25.8 m -109.72 140.13 29.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -137.66 129.05 27.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 28.4 tp -99.03 116.06 30.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -109.46 132.34 54.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.8 mt -127.11 128.71 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.082 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -106.01 149.55 16.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.504 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? 58.82 49.3 10.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.347 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.9 m -61.82 147.04 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.584 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -136.22 163.96 32.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.669 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -56.29 -25.74 49.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.945 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -74.91 -11.49 83.67 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -96.02 -36.11 11.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.79 0.328 . . . . 0.0 110.857 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.669 ' CD ' HD13 ' A' ' 89' ' ' LEU . 4.3 ptt-85 -53.36 149.52 7.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.91 -112.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.449 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.585 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.1 OUTLIER -148.56 150.47 33.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.8 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.668 ' CE1' HD12 ' A' ' 112' ' ' ILE . 87.9 m-85 -130.53 178.77 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -153.2 128.73 9.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.614 HD23 ' HE2' ' A' ' 15' ' ' PHE . 37.1 tp -105.9 113.77 27.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -92.11 138.43 31.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.1 t -148.78 109.75 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -121.88 149.26 43.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -133.27 -174.81 3.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 10.7 tptp -33.64 -58.39 0.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -131.27 -31.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.895 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 91.6 m -71.59 139.92 49.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.157 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 28.9 p -140.34 127.73 21.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.77 148.91 25.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 63.8 p -149.81 138.13 20.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.831 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.9 t -112.04 155.68 23.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.43 133.15 8.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.3 p90 -127.11 165.78 18.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.895 0.379 . . . . 0.0 110.845 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.512 HD22 ' N ' ' A' ' 111' ' ' ASN . 0.8 OUTLIER -134.55 131.98 38.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.668 HD12 ' CE1' ' A' ' 95' ' ' TYR . 61.4 mt -111.77 151.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -127.75 140.23 52.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 92' ' ' ARG . 97.9 t -119.6 93.66 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -65.44 130.33 42.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -88.62 157.43 49.53 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.8 Cg_endo -69.74 155.6 65.58 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.69 2.26 . . . . 0.0 112.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.9 mtt85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.866 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -174.64 141.33 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.877 0.37 . . . . 0.0 110.82 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 p -113.14 26.95 10.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 37.05 -148.56 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.7 t -60.83 112.52 2.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 m -148.48 148.68 30.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.99 -121.55 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.4 43.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -93.35 158.63 15.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -91.7 156.35 42.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.651 0.739 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 135.9 31.9 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.7 2.267 . . . . 0.0 112.362 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.2 t -125.23 -13.16 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.26 151.22 22.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.548 HG11 HD21 ' A' ' 41' ' ' LEU . 94.4 t -67.54 -39.94 83.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.6 m-85 -77.02 92.18 3.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.4 mt -56.81 -30.76 64.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.954 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -151.28 128.75 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.0 mttp -93.58 148.56 35.67 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.571 0.7 . . . . 0.0 110.939 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 115.62 4.18 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.647 2.231 . . . . 0.0 112.326 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -84.63 138.63 32.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.0 p -50.06 133.26 23.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 31.0 m -119.59 120.99 65.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.8 p -85.34 113.32 21.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.821 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 30' ' ' ALA . 1.9 m -118.05 163.2 15.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.145 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -108.27 137.34 46.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.539 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.2 m -43.63 135.2 3.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.27 1.03 82.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.809 ' O ' HG22 ' A' ' 87' ' ' VAL . 48.0 mmtt -105.48 -177.56 3.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.77 0.319 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.5 121.52 44.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -89.27 147.85 23.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.06 129.01 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.1 t -117.55 147.33 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.3 t -120.73 135.89 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.16 132.69 9.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -110.37 156.85 20.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -141.28 123.2 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.156 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -71.61 121.92 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.04 -34.16 15.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtmt -55.79 -58.46 7.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.785 0.326 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -51.8 -41.24 61.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD21 HG11 ' A' ' 14' ' ' VAL . 60.4 mt -70.49 143.62 90.53 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -45.25 1.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.319 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.553 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 9.7 t0 -135.69 -176.57 4.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -60.77 123.41 74.53 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.9 Cg_endo -69.8 162.77 40.81 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.688 2.259 . . . . 0.0 112.363 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.3 m -104.45 112.83 26.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.7 mm -85.87 119.08 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -151.22 125.27 9.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' PHE . 82.1 m95 -99.59 136.48 39.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -130.98 162.79 28.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.5 tttt -118.43 114.58 23.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.16 -92.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.497 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' LYS . 18.4 ttpt -54.96 176.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.753 0.311 . . . . 0.0 110.902 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -75.64 48.81 0.47 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.7 mt -95.6 148.85 22.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -114.02 113.36 24.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.425 HD22 ' CE2' ' A' ' 65' ' ' PHE . 71.1 mt -70.92 -74.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.12 177.96 26.81 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.502 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.42 ' OG ' ' CE2' ' A' ' 67' ' ' PHE . 17.6 m -130.24 126.28 36.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.877 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -100.31 28.01 5.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.5 m 52.04 36.97 20.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -166.43 -51.94 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -47.95 160.2 0.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.081 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -66.54 -13.8 61.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' HD22 ' A' ' 57' ' ' LEU . 24.6 m-85 -80.2 121.82 26.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 m -138.32 159.84 41.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.485 ' CD1' ' CD1' ' A' ' 49' ' ' TRP . 3.1 m-85 -144.26 117.61 9.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.7 mtpp -108.69 128.26 54.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -117.87 135.16 54.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -112.76 102.54 10.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -95.86 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -96.85 156.33 16.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.4 p -100.24 -28.12 13.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.7 -74.86 0.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.072 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.0 m -59.78 -25.2 64.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 61.4 42.98 10.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.1 p -121.91 150.17 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -110.58 113.48 26.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.6 m -103.69 110.47 22.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.5 m -109.69 139.63 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -132.47 135.35 45.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.505 HD21 HD11 ' A' ' 84' ' ' ILE . 27.9 tp -98.14 120.62 38.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -112.66 122.02 46.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.505 HD11 HD21 ' A' ' 82' ' ' LEU . 65.4 mt -125.07 102.69 11.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 152.06 30.68 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.0 mttp 53.48 53.01 12.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.809 HG22 ' O ' ' A' ' 28' ' ' LYS . 8.2 m -61.07 165.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.539 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.5 m -150.7 165.02 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.414 HD13 ' CD ' ' A' ' 92' ' ' ARG . 0.9 OUTLIER -54.37 -28.19 41.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.34 -21.68 79.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -79.61 -34.44 40.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.414 ' CD ' HD13 ' A' ' 89' ' ' LEU . 3.7 ptt-85 -58.2 147.72 29.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 147.26 -112.88 0.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 2.7 t80 -150.16 146.14 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.474 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 81.1 m-85 -128.1 170.31 13.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 37.9 ttm-85 -138.29 130.94 29.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 39.8 tp -109.52 121.86 46.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -98.94 141.8 31.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 45' ' ' PRO . 98.7 t -146.85 111.16 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -138.94 130.78 27.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.553 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -101.97 -75.32 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.6 tttm -121.31 -70.4 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -118.34 -19.6 8.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.8 m -81.83 128.32 33.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 22.8 p -119.64 120.05 35.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 106' ' ' ASP . 0.5 OUTLIER -137.95 134.37 34.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 60.2 p -139.39 154.41 47.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.445 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 16.4 m -152.4 135.96 16.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.837 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -110.4 169.16 13.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.484 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 3.0 p90 -144.73 166.99 23.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.28 136.8 52.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -122.65 147.63 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.48 128.02 43.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.408 HG23 ' HB3' ' A' ' 92' ' ' ARG . 46.8 t -113.97 92.54 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -80.35 126.3 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.437 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -75.12 155.88 86.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.571 0.7 . . . . 0.0 111.083 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.437 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.7 Cg_endo -69.77 159.9 51.7 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.629 2.219 . . . . 0.0 112.338 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -99.84 161.39 13.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -153.6 176.18 12.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.0 -114.53 3.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.457 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.3 t -128.77 -50.26 1.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p 44.92 41.96 5.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.87 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.74 -47.55 2.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -45.68 122.83 3.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.746 0.308 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -79.0 135.6 36.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -111.08 143.73 28.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.68 0.753 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 145.96 58.36 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.66 2.24 . . . . 0.0 112.319 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 m -65.01 -54.68 26.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 126.81 3.36 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' HD1' ' A' ' 15' ' ' PHE . 1.8 p -55.29 -40.36 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 111.097 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' HD1' HG13 ' A' ' 14' ' ' VAL . 4.1 m-85 -70.19 97.3 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 mt -60.76 -33.26 72.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -149.6 128.85 12.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 82.2 mttt -92.89 152.92 41.96 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.516 0.674 . . . . 0.0 110.925 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 102.14 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.73 142.61 51.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.3 t -55.59 142.87 31.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.2 m -130.89 125.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.1 p -92.1 118.33 30.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.496 HG21 HG21 ' A' ' 87' ' ' VAL . 1.7 m -120.91 167.4 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -114.12 137.59 51.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.513 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -40.24 125.27 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.32 -3.05 63.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.91 ' O ' HG22 ' A' ' 87' ' ' VAL . 24.1 mmmt -98.88 175.7 5.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.725 0.298 . . . . 0.0 110.957 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -107.36 120.95 43.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.85 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 153.86 23.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.5 t -143.42 132.42 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.092 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.0 t -135.15 116.0 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -102.67 151.52 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -161.82 124.65 3.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -98.53 143.38 29.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -131.38 123.25 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -71.79 111.37 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.51 -45.05 30.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.5 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -49.08 -47.55 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -55.77 -40.26 72.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD23 HG21 ' A' ' 104' ' ' THR . 8.1 mt -79.73 141.51 55.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.699 . . . . 0.0 110.933 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -42.76 3.12 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -129.53 -178.29 4.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -66.55 124.13 87.51 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.74 164.65 33.75 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.316 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -102.74 113.24 26.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.622 HD12 HG11 ' A' ' 80' ' ' VAL . 20.3 mm -88.99 115.37 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' O ' HD12 ' A' ' 97' ' ' LEU . 40.3 mttp -141.66 123.92 15.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.614 ' CE3' HD22 ' A' ' 82' ' ' LEU . 96.6 m95 -100.32 117.68 35.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CG ' ' HA ' ' A' ' 54' ' ' TRP . 60.5 m-85 -110.04 145.39 37.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.873 ' HB2' HD11 ' A' ' 57' ' ' LEU . 19.0 ttmt -111.75 88.93 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.74 -92.44 1.8 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.482 ' O ' ' C ' ' A' ' 54' ' ' TRP . 0.8 OUTLIER -99.7 87.55 3.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.772 0.32 . . . . 0.0 110.911 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 53' ' ' LYS . 45.8 p-90 31.64 38.44 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 51' ' ' LYS . 7.4 mt -78.27 99.75 6.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.31 106.17 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.873 HD11 ' HB2' ' A' ' 51' ' ' LYS . 94.9 mt -85.63 -176.92 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 59' ' ' SER . . . 129.97 -178.94 17.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.523 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 58' ' ' GLY . 19.2 m -36.33 -49.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.968 0.413 . . . . 0.0 110.859 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -44.97 -48.26 11.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 t -72.44 -37.59 68.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 174.39 136.48 2.25 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.43 -22.94 35.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 111.071 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -61.16 -31.22 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.42 ' CE1' HD13 ' A' ' 57' ' ' LEU . 65.7 m-85 -71.58 106.35 3.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.6 m -115.7 144.53 43.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -125.47 120.89 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -112.15 112.86 24.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -120.61 121.04 37.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -125.33 121.57 34.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -97.94 133.8 41.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -95.74 151.97 18.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 m -96.25 -27.01 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -91.29 -68.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.062 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -62.27 -34.18 76.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 67.9 45.05 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.5 p -120.96 137.53 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -92.89 106.2 18.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.4 m -88.68 103.19 15.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.622 HG11 HD12 ' A' ' 47' ' ' ILE . 34.4 m -109.68 131.51 60.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -126.01 155.9 40.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.614 HD22 ' CE3' ' A' ' 49' ' ' TRP . 13.7 tp -129.51 102.56 6.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -99.42 133.59 43.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -129.28 101.07 6.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.08 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.41 151.5 29.72 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.516 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 59.02 54.06 5.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.806 0.336 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.91 HG22 ' O ' ' A' ' 28' ' ' LYS . 7.0 m -67.39 153.96 8.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.13 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.513 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.6 m -138.99 165.38 23.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.413 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.8 OUTLIER -57.16 -23.17 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.0 -7.62 88.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -96.79 -31.98 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.771 0.319 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.2 ptt85 -57.53 145.85 32.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 154.49 -117.13 0.77 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.514 ' CD2' ' O ' ' A' ' 110' ' ' PHE . 2.1 t80 -150.92 140.75 21.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.904 0.383 . . . . 0.0 110.924 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.674 ' CE1' HD12 ' A' ' 112' ' ' ILE . 36.1 m-85 -116.58 -175.2 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -161.25 128.76 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 48' ' ' LYS . 50.4 tp -101.42 116.99 34.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -97.59 124.42 41.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG13 ' HB2' ' A' ' 45' ' ' PRO . 67.0 t -139.82 114.72 7.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 101' ' ' ALA . 0.6 OUTLIER -126.56 143.54 51.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 100' ' ' LYS . . . -127.95 -175.0 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.7 mmtt -39.77 -68.1 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -128.16 24.87 5.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.471 HG21 HD23 ' A' ' 41' ' ' LEU . 98.3 m -138.03 116.53 12.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.2 t -125.77 131.84 52.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -154.66 138.87 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.9 p -136.88 151.02 48.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.8 t -138.8 136.14 35.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.25 150.38 18.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.4 OUTLIER -129.29 -175.16 3.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.875 0.369 . . . . 0.0 110.893 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -133.89 142.89 47.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.674 HD12 ' CE1' ' A' ' 95' ' ' TYR . 12.5 mt -130.32 137.63 55.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 135.38 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 66.7 t -118.49 91.65 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.27 135.42 48.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -77.22 160.3 76.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.624 0.726 . . . . 0.0 111.137 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.2 Cg_endo -69.79 146.54 60.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.838 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.2 t -58.65 168.88 1.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.346 . . . . 0.0 110.909 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -80.87 -58.77 2.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.54 -46.72 3.2 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 t -111.9 -60.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.823 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 m -71.5 112.71 7.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.21 -175.71 14.08 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.09 115.53 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.739 0.304 . . . . 0.0 111.107 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -145.83 133.22 20.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.88 150.24 19.88 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.638 0.732 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 145.91 58.67 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.723 2.282 . . . . 0.0 112.325 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.5 p -124.6 80.36 1.84 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.138 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.91 170.75 12.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.827 HG11 HD21 ' A' ' 41' ' ' LEU . 96.2 t -93.48 -49.75 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 0.0 111.168 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -62.99 99.46 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.14 -41.46 92.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -139.12 128.78 24.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -94.27 151.36 39.43 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.564 0.697 . . . . 0.0 110.874 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 113.67 3.45 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.649 2.233 . . . . 0.0 112.323 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.79 155.52 27.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.884 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -69.52 129.24 39.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 22' ' ' VAL . 7.1 m -122.86 123.55 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.65 113.16 24.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.666 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -108.71 168.42 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -103.66 137.97 40.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.4 m -42.69 131.23 4.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.25 1.34 78.93 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.87 ' O ' HG22 ' A' ' 87' ' ' VAL . 19.6 mmmt -102.96 177.63 4.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -111.51 120.66 42.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.496 ' HB2' HG11 ' A' ' 24' ' ' VAL . . . -84.68 154.48 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.8 t -144.74 130.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.147 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.474 HG21 ' CE2' ' A' ' 110' ' ' PHE . 63.2 t -123.09 136.56 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 79.1 t -114.64 129.68 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.38 124.97 12.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.064 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mttp -101.77 155.87 17.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' O ' HG23 ' A' ' 77' ' ' VAL . 96.0 t -140.36 129.19 26.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 36.4 t-20 -71.85 108.2 5.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -72.14 -47.25 31.29 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -55.85 -49.71 72.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.742 0.306 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 38.4 mm-40 -50.9 -44.01 59.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.827 HD21 HG11 ' A' ' 14' ' ' VAL . 6.6 mt -72.36 143.33 85.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.596 0.712 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -28.4 25.18 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.695 2.264 . . . . 0.0 112.292 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -150.14 -178.16 6.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -63.57 120.75 65.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.562 0.696 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 162.5 41.82 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.655 2.237 . . . . 0.0 112.31 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.7 m -100.83 112.77 25.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.608 HD12 HG11 ' A' ' 80' ' ' VAL . 27.2 mm -85.33 114.7 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -140.09 133.19 29.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.439 ' CE3' HD22 ' A' ' 82' ' ' LEU . 92.9 m95 -110.76 144.81 39.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.955 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -138.4 170.03 16.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' A' ' 53' ' ' LYS . 29.4 ttmt -127.34 96.29 4.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 60.08 -76.12 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.463 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.554 ' HE3' HD11 ' A' ' 55' ' ' LEU . 2.2 pttt -92.95 -174.95 3.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.459 ' O ' ' C ' ' A' ' 55' ' ' LEU . 1.7 p90 -40.91 -24.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD11 ' HE3' ' A' ' 53' ' ' LYS . 14.2 mt -33.74 107.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -101.62 131.07 48.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.85 155.37 18.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -176.82 -176.95 45.39 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.446 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.7 t -122.95 130.82 53.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.936 0.398 . . . . 0.0 110.811 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -127.77 -59.75 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.9 t -128.22 45.88 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.03 67.0 1.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.44 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 0.0 111.113 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.413 ' NH2' ' OD1' ' A' ' 91' ' ' ASP . 15.7 ptt180 -51.56 -31.44 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -76.63 104.9 7.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.8 m -115.9 137.77 51.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.5 m-30 -111.96 117.87 33.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -104.03 108.34 19.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -107.2 136.43 47.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.4 t -134.1 103.1 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.463 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.8 p80 -91.26 124.33 35.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -91.34 146.74 23.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 50.4 p -85.55 -39.64 17.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.53 -66.02 0.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.132 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.8 t -59.97 -39.0 84.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.0 t-20 69.91 45.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.2 p -124.02 139.72 49.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -97.16 110.59 23.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.8 m -98.37 100.1 11.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.608 HG11 HD12 ' A' ' 47' ' ' ILE . 32.6 m -101.93 137.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.156 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -132.58 138.0 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.439 HD22 ' CE3' ' A' ' 49' ' ' TRP . 25.3 tp -108.42 118.28 36.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 -107.54 131.4 54.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 19.3 mt -123.47 107.67 19.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -90.04 152.07 22.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.464 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt 55.55 47.64 20.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.87 HG22 ' O ' ' A' ' 28' ' ' LYS . 3.1 m -55.1 150.4 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.18 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.4 m -135.14 159.97 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.46 -19.49 3.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.24 -21.45 54.77 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.413 ' OD1' ' NH2' ' A' ' 64' ' ' ARG . 8.6 m-20 -80.28 -26.51 38.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.819 0.343 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.496 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.4 ptt85 -65.58 151.41 46.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 144.59 -110.86 0.58 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.465 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.4 t80 -150.45 143.56 24.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.914 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.661 ' CE1' HD12 ' A' ' 112' ' ' ILE . 49.3 m-85 -120.21 178.51 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.4 ttp180 -151.42 138.92 19.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.3 tp -115.33 120.71 40.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -99.26 139.34 35.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.1 t -150.17 123.24 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -133.51 146.43 51.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 104' ' ' THR . . . -137.86 -176.45 4.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 101' ' ' ALA . 45.6 mttt -38.26 -71.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -125.0 29.01 6.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.493 HG21 HD23 ' A' ' 41' ' ' LEU . 87.7 m -143.56 123.45 13.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.7 t -136.67 129.49 30.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.99 153.79 37.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.3 p -140.83 152.79 45.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.8 t -146.23 136.78 24.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.1 163.34 13.33 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.61 ' HE2' HD11 ' A' ' 112' ' ' ILE . 7.4 p90 -140.43 179.81 6.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.393 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -130.48 137.83 49.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.661 HD12 ' CE1' ' A' ' 95' ' ' TYR . 37.3 mt -123.96 144.14 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -122.7 129.08 51.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 92' ' ' ARG . 81.3 t -110.25 91.53 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -63.13 143.79 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -98.36 151.54 37.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.603 0.716 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 149.84 67.11 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.689 2.259 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 46.0 mtm180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.952 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -132.2 115.37 15.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.881 0.372 . . . . 0.0 110.867 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -75.69 74.32 2.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.63 137.14 14.08 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.6 p -159.54 165.32 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -112.53 128.63 56.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . -159.28 71.49 0.23 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.457 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 67.49 44.55 1.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 111.092 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -103.86 112.5 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -123.25 140.02 32.91 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.675 0.75 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 139.84 41.35 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.693 2.262 . . . . 0.0 112.366 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.9 m -82.15 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.88 -161.63 10.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 40' ' ' GLU . 21.7 t -75.55 -37.31 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 111.126 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -70.87 97.35 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.31 -32.27 71.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -148.71 129.28 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -101.22 146.22 31.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 110.879 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 127.65 14.87 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.319 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.1 m-20 -94.49 132.62 38.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.5 m -40.49 137.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 20' ' ' ASP . 27.8 m -132.44 126.16 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.34 115.26 27.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.6 m -115.01 168.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -101.07 153.07 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.665 HG23 ' HA ' ' A' ' 88' ' ' VAL . 2.7 m -60.19 136.59 58.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.81 -0.96 86.8 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.64 ' O ' HG22 ' A' ' 87' ' ' VAL . 64.6 mmtt -100.47 -175.03 2.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -116.25 121.0 40.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.16 148.81 26.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG13 ' NE2' ' A' ' 83' ' ' HIS . 95.6 t -136.5 126.13 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.3 t -126.81 118.52 50.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.0 t -97.46 139.1 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.05 129.1 5.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.116 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 51.0 mttt -106.64 156.12 18.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.9 t -139.89 125.77 21.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -74.08 121.86 21.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.09 -44.43 7.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -47.85 -55.71 9.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.413 ' CB ' HG22 ' A' ' 14' ' ' VAL . 8.2 mm-40 -48.91 -42.45 37.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 45' ' ' PRO . 18.6 mt -72.5 140.38 81.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -44.45 2.05 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.303 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.679 ' O ' ' HB1' ' A' ' 101' ' ' ALA . 11.2 t0 -127.55 -175.62 3.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -64.09 121.17 70.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.611 0.72 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.713 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.3 Cg_endo -69.8 159.83 51.91 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.704 2.269 . . . . 0.0 112.337 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 m -116.18 112.86 22.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.776 HG12 HG11 ' A' ' 80' ' ' VAL . 2.8 mp -85.89 134.15 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -158.26 126.92 5.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.609 ' HB2' HD12 ' A' ' 57' ' ' LEU . 59.5 m95 -99.64 127.19 45.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -125.44 140.6 52.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.6 OUTLIER -103.42 103.9 13.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.859 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 38.7 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 51' ' ' LYS . 20.4 ttpt -52.46 172.13 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -75.33 48.76 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -91.72 178.31 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -142.92 108.77 5.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.689 HD22 ' CE1' ' A' ' 65' ' ' PHE . 51.8 mt -58.71 -50.82 72.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -34.42 129.53 0.54 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.5 t -144.19 -179.89 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.018 0.437 . . . . 0.0 110.797 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 pttm -51.91 154.83 1.98 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.0 m -40.07 -35.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.36 93.85 1.84 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.32 150.57 9.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.47 -12.31 21.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.689 ' CE1' HD22 ' A' ' 57' ' ' LEU . 70.0 m-85 -80.34 113.07 18.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.1 m -119.44 150.66 39.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -140.13 120.87 14.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.8 mtpp -113.9 109.0 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -116.3 128.04 55.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -128.44 100.07 5.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.843 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -83.88 133.18 34.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -99.9 149.44 23.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 98.4 p -99.02 -9.65 23.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.24 -48.9 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 m -91.07 0.46 57.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 37.71 44.86 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -117.0 141.52 34.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -109.18 103.05 11.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.5 m -88.33 108.15 19.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.165 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.776 HG11 HG12 ' A' ' 47' ' ' ILE . 21.2 m -111.35 140.98 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.421 ' OE1' ' C ' ' A' ' 80' ' ' VAL . 2.3 mp0 -135.97 126.72 27.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.555 HD22 ' CE3' ' A' ' 49' ' ' TRP . 6.3 tp -100.62 108.77 20.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -105.94 130.9 53.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.401 ' O ' HG13 ' A' ' 87' ' ' VAL . 46.9 mt -126.32 105.41 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.22 155.61 28.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.481 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt 56.02 42.61 28.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.78 0.324 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.64 HG22 ' O ' ' A' ' 28' ' ' LYS . 6.3 m -56.06 167.81 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.665 ' HA ' HG23 ' A' ' 26' ' ' THR . 33.0 m -152.71 170.02 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.429 HD22 HG12 ' A' ' 114' ' ' VAL . 0.6 OUTLIER -58.76 -42.12 88.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.02 -21.94 56.91 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.502 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -77.52 -49.13 15.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.5 ' HB3' HG23 ' A' ' 114' ' ' VAL . 4.6 ptt-85 -43.94 157.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 142.77 -108.45 0.52 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -148.92 153.07 37.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.881 0.372 . . . . 0.0 110.939 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.678 ' CE1' HD12 ' A' ' 112' ' ' ILE . 89.2 m-85 -137.95 171.4 14.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -150.18 132.76 15.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.42 117.62 34.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -97.93 133.07 42.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 91.7 t -139.88 112.16 5.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt -137.36 129.89 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.679 ' HB1' ' O ' ' A' ' 43' ' ' ASP . . . -98.35 -75.29 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -123.49 -71.33 0.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -113.67 -16.28 12.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 93.4 m -92.36 127.55 37.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.36 109.22 12.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.82 138.47 54.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.8 p -141.25 154.09 45.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.4 p -118.69 160.62 21.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -133.12 120.18 2.55 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 95' ' ' TYR . 52.6 p90 -132.21 164.76 25.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.866 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -125.49 151.29 46.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.678 HD12 ' CE1' ' A' ' 95' ' ' TYR . 31.5 mt -126.04 149.48 30.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.12 128.76 49.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.595 HG11 ' C ' ' A' ' 88' ' ' VAL . 86.3 t -112.68 94.82 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.101 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -74.87 132.04 41.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -76.38 157.45 82.67 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.556 0.693 . . . . 0.0 111.167 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 54.1 Cg_endo -69.68 172.53 12.4 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.722 2.281 . . . . 0.0 112.372 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.7 mtt-85 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 p -102.25 83.13 2.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.899 0.381 . . . . 0.0 110.871 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.7 p -54.47 100.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.44 -47.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.1 m -113.3 144.24 43.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -89.4 83.14 6.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.99 -73.21 0.7 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.457 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.08 140.78 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.745 0.307 . . . . 0.0 111.102 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -92.28 61.43 3.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -116.47 149.4 43.68 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.644 0.735 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 141.65 45.96 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.694 2.263 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.1 t -85.13 -12.81 51.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.95 174.76 41.05 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.723 HG23 ' HD1' ' A' ' 15' ' ' PHE . 27.7 m -119.06 -20.33 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.723 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -87.88 95.19 10.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.8 mt -54.27 -37.11 64.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -142.74 130.03 21.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -95.51 149.37 36.01 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 104.09 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' O ' HG13 ' A' ' 22' ' ' VAL . 12.5 m-20 -74.69 139.63 43.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -52.68 138.44 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 22' ' ' VAL . 33.8 m -133.62 117.76 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -93.54 106.18 18.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -101.01 168.27 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -100.11 137.26 38.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.941 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.456 ' OG1' HG12 ' A' ' 114' ' ' VAL . 11.1 m -46.15 137.04 6.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.93 -7.48 77.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.973 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.7 mmtt -94.66 -175.64 3.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.99 125.48 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.401 ' CB ' HG11 ' A' ' 24' ' ' VAL . . . -91.6 153.45 19.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -148.86 127.93 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG12 ' N ' ' A' ' 33' ' ' VAL . 71.8 t -115.92 153.55 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.403 ' N ' HG12 ' A' ' 32' ' ' VAL . 53.6 t -127.82 128.8 69.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.87 125.63 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.8 mttp -105.32 155.01 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -136.86 119.75 21.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -72.03 108.62 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -72.07 -40.41 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.525 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -49.73 -55.74 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.735 0.303 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -53.61 -39.25 64.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.473 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.1 mt -74.85 141.24 75.1 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.937 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -42.69 3.19 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.67 2.247 . . . . 0.0 112.367 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -132.64 -178.9 5.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -63.06 119.19 49.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.577 0.703 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 155.57 65.49 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.702 2.268 . . . . 0.0 112.355 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.9 m -103.44 113.06 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 2.5 mp -89.25 128.41 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.114 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 70.5 mttt -149.36 123.92 9.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.454 ' HB3' HD12 ' A' ' 57' ' ' LEU . 91.8 m95 -93.01 115.99 28.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 95.2 m-85 -113.14 151.49 30.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -96.22 167.12 11.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -40.85 -34.92 0.84 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.528 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -91.8 -174.81 3.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.7 0.286 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 11.2 p-90 -83.18 36.5 0.52 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -83.57 -176.54 6.35 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -149.19 107.42 3.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 49' ' ' TRP . 11.5 mt -76.42 167.48 21.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.24 46.0 1.93 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.509 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.0 m -122.35 -177.92 3.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.908 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -88.22 -6.78 57.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 t -83.44 -40.17 19.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -97.58 64.81 0.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -50.25 -54.71 19.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 111.088 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -38.8 -36.31 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -74.0 111.45 9.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.1 m -127.37 138.64 53.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.7 m-85 -115.62 120.0 37.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' HD2' ' NE2' ' A' ' 83' ' ' HIS . 63.6 mttt -106.77 112.36 25.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 6.7 tm-20 -117.83 129.54 55.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 m -130.28 101.24 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 78' ' ' TYR . 4.4 t-80 -84.1 134.92 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -102.54 153.18 20.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 t -99.56 -7.47 25.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.59 -60.04 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.088 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.0 m -71.94 -12.5 61.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 47.44 48.15 16.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 12.7 p -130.58 133.8 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.462 ' CD2' ' HB2' ' A' ' 71' ' ' HIS . 30.8 m-85 -97.86 101.03 12.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.3 m -84.98 113.83 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 26.8 m -115.32 138.58 45.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -133.96 141.94 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.0 tp -109.81 120.62 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' NE2' ' HD2' ' A' ' 68' ' ' LYS . 9.5 m-70 -112.97 129.26 56.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.3 mt -124.89 105.27 14.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.17 146.56 21.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 60.75 40.92 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.973 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.7 m -51.49 148.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.453 ' HA ' HG23 ' A' ' 26' ' ' THR . 30.5 m -137.29 167.22 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.676 HD13 ' CD ' ' A' ' 92' ' ' ARG . 1.4 mm? -59.9 -30.97 69.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.907 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.34 -17.48 74.31 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.521 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -88.26 -39.76 14.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.338 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.676 ' CD ' HD13 ' A' ' 89' ' ' LEU . 2.8 ptt85 -51.67 142.94 13.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.44 -111.74 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 95' ' ' TYR . 10.3 t80 -146.57 155.01 42.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.933 0.397 . . . . 0.0 110.908 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' A' ' 112' ' ' ILE . 88.4 m-85 -142.58 152.25 42.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -123.53 138.35 54.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.41 HD23 ' HE2' ' A' ' 15' ' ' PHE . 53.4 tp -113.74 112.68 23.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -91.85 137.62 32.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.0 t -149.41 109.95 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.157 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -120.15 151.58 38.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 102' ' ' LYS . . . -130.82 -174.63 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.047 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' A' ' 101' ' ' ALA . 27.0 tttt -32.91 -59.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -130.77 -31.66 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 97.4 m -73.3 146.44 45.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 32.1 p -140.58 129.95 23.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -150.4 148.62 29.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.2 p -150.34 139.12 20.81 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 3.1 t -119.59 160.95 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -135.45 143.65 15.29 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.475 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -131.51 176.89 7.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.876 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.2 m-20 -136.17 139.17 42.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.568 HD12 ' CE1' ' A' ' 95' ' ' TYR . 34.4 mt -120.83 143.08 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -124.54 131.5 53.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.844 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 92' ' ' ARG . 85.0 t -112.69 94.05 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.127 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -67.1 131.61 46.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -93.61 154.25 41.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 147.69 63.16 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.656 2.237 . . . . 0.0 112.334 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 -179.925 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -162.78 122.45 2.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.368 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -83.3 -58.39 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.802 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.38 -111.95 1.98 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.453 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.3 t -72.41 115.78 12.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.8 t -68.12 97.89 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.39 177.24 48.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.03 142.41 57.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -112.75 131.62 55.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -71.42 146.74 92.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.61 65.3 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.7 2.267 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 13' ' ' GLY . 9.0 t -112.73 -42.62 3.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 12' ' ' THR . . . -158.49 -161.6 11.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.642 HG23 ' HD1' ' A' ' 15' ' ' PHE . 26.8 m -104.82 -21.42 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.642 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.3 m-85 -89.0 86.42 6.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -46.44 -41.14 13.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -142.47 137.02 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -104.31 148.77 36.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.1 Cg_endo -69.79 101.44 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.324 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.516 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.8 OUTLIER -73.21 137.65 45.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.4 p -47.5 134.08 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 22' ' ' VAL . 25.0 m -129.72 120.79 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.9 t -96.8 117.47 31.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 87' ' ' VAL . 1.4 m -115.94 168.36 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.1 mp0 -94.19 149.58 21.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 88' ' ' VAL . 4.3 m -58.79 126.04 26.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.54 -7.31 61.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.839 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.4 mmmt -92.05 -175.78 4.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.781 0.324 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.92 122.17 46.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.82 153.8 21.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.0 t -149.17 125.09 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 33' ' ' VAL . 87.4 t -114.83 155.85 15.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' N ' HG12 ' A' ' 32' ' ' VAL . 69.7 t -132.54 135.05 58.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.72 126.59 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.7 mmtt -99.48 151.09 21.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.2 t -141.35 110.97 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.127 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -71.77 110.25 6.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -71.22 -44.11 53.89 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.513 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -40.16 -52.69 2.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.759 0.314 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -57.34 -37.32 72.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 45' ' ' PRO . 38.0 mt -74.74 144.16 79.69 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.606 0.717 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.436 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.6 Cg_endo -69.73 -32.17 19.23 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.378 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -154.4 -178.73 7.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 tttm -52.22 121.87 22.06 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.8 -174.79 0.98 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.613 HG22 ' HG3' ' A' ' 48' ' ' LYS . 41.1 m -119.8 116.52 26.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.125 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.636 HD12 HG11 ' A' ' 80' ' ' VAL . 37.7 mm -93.96 117.33 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.613 ' HG3' HG22 ' A' ' 46' ' ' THR . 61.4 mttt -146.83 130.89 17.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 91.0 m95 -112.47 114.13 26.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.924 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -107.18 150.81 26.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HB2' HD21 ' A' ' 57' ' ' LEU . 26.1 tttm -106.09 88.22 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.55 37.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -174.28 -175.67 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.807 0.337 . . . . 0.0 110.876 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.4 p-90 -74.71 -4.98 40.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 26.0 mt -58.02 144.48 39.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -118.76 96.77 5.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 51' ' ' LYS . 34.6 mt -52.06 175.22 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 137.57 136.58 3.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.582 ' HA ' ' HB3' ' A' ' 63' ' ' ALA . 43.9 t -84.0 82.54 8.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.983 0.42 . . . . 0.0 110.853 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -88.85 -49.54 6.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.5 p -119.72 40.96 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.56 79.98 1.09 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.582 ' HB3' ' HA ' ' A' ' 59' ' ' SER . . . -122.36 144.17 49.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' H ' ' CD ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -67.67 -5.49 16.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -87.49 106.26 17.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.3 m -120.95 141.3 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.797 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -113.93 138.91 49.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -121.33 109.34 14.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.932 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.512 ' CD ' ' N ' ' A' ' 70' ' ' SER . 3.3 tp10 -125.78 130.82 52.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.512 ' N ' ' CD ' ' A' ' 69' ' ' GLU . 3.1 m -132.44 109.38 9.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.521 ' CD2' ' CZ ' ' A' ' 78' ' ' TYR . 7.7 t-80 -86.53 122.95 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 73' ' ' SER . 25.1 t-20 -98.3 152.94 18.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' A' ' 72' ' ' ASN . 15.6 t -88.38 -71.52 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.58 -53.49 23.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 m -67.81 -47.26 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 73.25 40.42 0.54 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 8.6 p -126.45 137.81 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.521 ' CZ ' ' CD2' ' A' ' 71' ' ' HIS . 24.8 m-85 -99.73 107.32 19.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.4 m -89.76 96.36 10.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.636 HG11 HD12 ' A' ' 47' ' ' ILE . 35.0 m -99.19 131.58 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.16 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -133.31 144.44 49.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.3 tp -110.94 125.86 54.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -116.96 136.33 53.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.5 mt -133.84 123.32 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -101.09 150.2 18.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? 55.91 48.37 18.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 28' ' ' LYS . 1.4 m -59.18 147.14 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.505 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -135.98 164.21 32.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.667 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.0 OUTLIER -53.77 -38.07 64.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.82 -11.42 57.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.451 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -93.54 -29.47 15.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.82 0.343 . . . . 0.0 110.83 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.667 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.5 ptt85 -62.85 147.25 50.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 155.64 -114.84 0.63 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.4 OUTLIER -144.52 149.67 36.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.891 0.377 . . . . 0.0 110.947 -179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.48 ' O ' ' CE1' ' A' ' 94' ' ' TYR . 52.6 m-85 -132.0 173.15 11.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -147.92 145.08 28.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.6 tp -121.69 117.25 26.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -94.13 127.93 40.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 38.5 t -139.0 110.36 5.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.088 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.04 132.7 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.88 -73.23 0.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 76.1 mttt -126.68 -75.16 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -107.8 -17.89 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 94.9 m -90.09 127.68 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 30.0 t -133.93 112.47 11.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.51 114.2 11.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 84.8 p -120.32 139.05 53.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 15.0 t -111.09 162.53 14.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -137.25 125.29 3.31 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.442 ' C ' ' OD1' ' A' ' 111' ' ' ASN . 30.4 p90 -119.16 174.91 6.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.905 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.442 ' OD1' ' C ' ' A' ' 110' ' ' PHE . 1.3 m120 -137.71 140.49 40.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' A' ' 95' ' ' TYR . 35.3 mt -117.26 146.06 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.82 126.14 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' ' 92' ' ' ARG . 96.0 t -107.16 99.06 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -74.91 125.56 29.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.88 150.29 68.79 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.584 0.707 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.19 67.73 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 p -97.22 118.4 33.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.852 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -112.62 167.92 10.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.18 -114.65 0.62 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -65.27 109.66 2.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.813 0.34 . . . . 0.0 110.868 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -155.4 167.62 29.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.49 92.68 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.05 45.76 1.03 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.737 0.303 . . . . 0.0 111.118 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -66.62 133.38 50.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -104.78 151.53 39.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.673 0.749 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 146.9 61.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 73.5 p -91.02 -60.11 1.99 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.164 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -139.06 -169.26 11.51 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.839 HG21 ' OD2' ' A' ' 106' ' ' ASP . 23.8 m -72.48 -23.98 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.676 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -90.43 89.09 7.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.1 mt -48.76 -34.65 12.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -141.15 131.61 25.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.923 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.66 145.36 30.7 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.525 0.679 . . . . 0.0 110.924 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 109.8 2.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.639 2.226 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' O ' HG13 ' A' ' 22' ' ' VAL . 22.3 m-20 -82.01 148.64 28.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.9 p -53.29 135.98 37.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.7 m -133.56 117.4 27.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.3 m -95.14 112.93 24.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.825 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.654 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.7 m -110.27 168.4 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -101.77 139.22 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -46.35 138.51 5.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 85.48 -6.6 79.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.793 ' O ' HG22 ' A' ' 87' ' ' VAL . 1.1 mmmp? -95.1 -176.76 3.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -114.67 121.91 44.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 146.0 25.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.087 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.97 128.62 31.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.9 t -117.89 135.02 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.9 t -111.28 135.23 51.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -155.59 149.28 25.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -125.81 157.94 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 70.3 t -139.09 124.77 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 -75.0 102.37 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -66.71 -46.51 74.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.474 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -45.46 -42.2 10.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -66.74 -30.06 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.591 HD13 ' HB3' ' A' ' 45' ' ' PRO . 14.3 mt -85.96 142.59 36.54 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.599 0.714 . . . . 0.0 110.9 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.82 -44.53 1.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.335 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.85 -176.28 4.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -57.48 123.14 60.28 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.567 0.699 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.591 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.8 Cg_endo -69.78 157.32 60.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.696 2.264 . . . . 0.0 112.32 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.9 m -96.14 112.75 24.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 80' ' ' VAL . 33.9 mm -91.8 121.69 42.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.12 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -154.26 130.27 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CE3' HD22 ' A' ' 82' ' ' LEU . 79.3 m95 -105.25 120.03 40.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -108.95 157.92 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' LYS . 28.9 tttt -117.03 107.82 15.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.18 -93.07 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 51' ' ' LYS . 6.5 ttmt -52.93 -176.34 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.756 0.312 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -80.92 43.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.3 mt -90.48 158.14 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -120.91 125.56 47.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.1 mt -96.96 174.96 6.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.7 144.88 10.57 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.437 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.3 t -162.63 173.8 13.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.845 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 61' ' ' SER . 12.5 ttmt -93.09 -46.62 7.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 60' ' ' LYS . 30.3 t -37.89 -56.41 1.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 126.52 72.06 0.19 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.83 167.78 12.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.791 0.329 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -52.58 -27.77 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.438 ' N ' ' HG2' ' A' ' 64' ' ' ARG . 59.5 m-85 -73.68 103.95 4.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.0 m -118.26 138.7 52.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.8 m-30 -113.05 132.32 55.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -118.43 108.9 15.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -117.53 123.5 46.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.929 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.407 ' N ' ' OE2' ' A' ' 69' ' ' GLU . 2.7 m -130.03 114.5 15.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -94.28 135.69 35.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -97.68 148.67 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 87.5 p -89.1 -22.69 22.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.13 -71.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.3 m -63.92 -20.1 65.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 55.92 44.48 25.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.936 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 6.5 p -121.81 136.39 58.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -93.49 109.19 20.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.1 m -86.93 99.16 11.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 HD12 ' A' ' 47' ' ' ILE . 24.2 m -101.24 137.45 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -140.99 131.09 24.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.552 HD22 ' CE3' ' A' ' 49' ' ' TRP . 23.9 tp -102.46 120.86 41.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -109.31 135.84 49.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 13.6 mt -130.65 115.07 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.157 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.77 146.26 18.21 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt 64.25 42.38 5.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -53.07 139.63 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.124 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 m -126.18 161.67 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -48.41 -32.36 7.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.63 -29.89 72.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -27.51 66.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -69.21 134.37 49.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.45 -108.45 0.35 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.53 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.3 t80 -144.57 150.69 37.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 110' ' ' PHE . 76.9 m-85 -138.74 172.4 12.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -156.51 146.04 20.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.0 tp -120.14 117.99 29.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -91.67 136.12 33.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.524 HG13 ' HB2' ' A' ' 45' ' ' PRO . 91.7 t -146.96 114.34 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -144.29 131.32 20.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . . . -96.58 -68.8 0.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.1 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.451 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 18.1 mmtp -131.85 -69.29 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -125.97 19.77 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.8 m -125.2 82.67 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.14 126.84 33.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.839 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.6 OUTLIER -146.37 123.4 11.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.1 p -131.49 153.83 49.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.77 157.08 34.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -130.44 129.66 5.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.469 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 2.4 p90 -127.4 -178.62 4.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -141.99 132.03 24.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.861 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 49.3 mt -111.37 147.2 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.74 126.14 46.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 77.8 t -111.31 91.08 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -65.15 141.62 58.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.83 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -87.86 154.34 52.72 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.79 63.67 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.316 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 17.5 tpt85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -127.52 -54.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 p -69.42 128.35 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.59 143.41 20.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 6' ' ' SER . 39.6 t -134.69 150.9 50.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.5 p -34.87 138.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.07 102.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.488 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.35 162.61 2.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.721 0.296 . . . . 0.0 111.073 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.406 ' C ' ' OE1' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -130.45 130.48 44.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.406 ' OE1' ' C ' ' A' ' 9' ' ' GLU . 1.0 OUTLIER -123.22 154.08 65.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.625 0.726 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 139.29 39.81 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.8 m -92.44 -63.25 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.114 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.68 -156.46 17.79 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.678 HG23 ' HD1' ' A' ' 15' ' ' PHE . 31.3 m -67.03 -21.88 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.174 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.678 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.1 m-85 -94.11 97.53 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 HD12 ' CG2' ' A' ' 77' ' ' VAL . 12.4 mt -57.32 -32.61 66.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -150.22 131.06 14.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -97.81 151.41 37.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.518 0.675 . . . . 0.0 110.897 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 110.96 2.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.232 . . . . 0.0 112.322 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -78.7 137.39 37.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.2 p -46.52 123.42 4.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -110.9 134.45 53.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.3 p -98.98 124.4 43.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -129.94 164.19 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -107.56 144.61 34.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.412 ' HG1' ' HA ' ' A' ' 116' ' ' ALA . 0.7 OUTLIER -49.75 134.41 20.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.16 -6.33 83.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 1.003 ' O ' HG22 ' A' ' 87' ' ' VAL . 45.4 mmtm -96.0 -178.3 4.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.58 125.38 53.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.74 154.83 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.069 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.8 t -148.74 127.65 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.5 t -126.6 143.33 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -120.24 130.6 74.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -146.39 130.11 17.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.111 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.9 mttp -105.29 154.26 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -139.4 121.38 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -74.22 110.41 8.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.36 -33.04 54.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.3 -42.87 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -63.49 -26.6 68.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD13 ' HB3' ' A' ' 45' ' ' PRO . 7.0 mt -93.21 146.94 32.85 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.605 0.717 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -48.43 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.64 2.226 . . . . 0.0 112.339 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -127.67 175.61 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -56.21 119.55 28.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.6 0.714 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.554 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.75 165.54 30.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.242 . . . . 0.0 112.359 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.2 m -111.88 112.79 24.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.6 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -86.7 125.45 40.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.13 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.403 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.4 mtpt -141.4 130.25 23.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.549 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 88.2 m95 -104.21 131.19 51.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -132.47 138.09 47.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.659 ' HB2' HD21 ' A' ' 57' ' ' LEU . 19.3 ttmt -107.34 101.83 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 42.43 -91.62 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HG2' ' CD1' ' A' ' 54' ' ' TRP . 8.2 ttpt -56.28 178.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.498 ' CD1' ' HG2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -75.9 48.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.6 mt -93.95 160.89 14.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -122.66 102.35 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 51' ' ' LYS . 15.4 mt -72.17 -31.11 65.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.553 ' HA2' ' CZ ' ' A' ' 67' ' ' PHE . . . -34.33 151.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.465 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.0 t -71.84 66.74 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.939 0.4 . . . . 0.0 110.887 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -127.44 -28.79 2.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 m -132.32 16.02 4.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.83 135.29 3.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.449 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -78.94 -40.63 31.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 111.059 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -40.59 -39.99 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD1' ' HB3' ' A' ' 57' ' ' LEU . 69.0 m-85 -75.19 99.92 4.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 m -105.89 139.68 40.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.553 ' CZ ' ' HA2' ' A' ' 58' ' ' GLY . 4.7 m-85 -135.14 123.09 22.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.9 mmtt -110.75 117.28 33.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.888 ' OE2' HG12 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -97.52 135.61 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.5 t -134.35 106.59 7.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.582 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -100.48 116.29 32.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.839 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.582 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 11.5 m120 -85.08 156.98 20.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 25.0 p -93.0 -52.2 4.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.31 -52.54 11.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.3 m -70.63 -29.15 65.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 55.36 44.68 26.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.484 ' CG2' HD12 ' A' ' 16' ' ' LEU . 9.9 p -122.47 143.14 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -100.58 107.83 19.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 99.1 m -95.8 102.57 14.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.207 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.888 HG12 ' OE2' ' A' ' 69' ' ' GLU . 12.6 m -102.73 132.36 49.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -121.18 129.08 53.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.492 HD13 ' CE2' ' A' ' 67' ' ' PHE . 8.1 tp -101.75 109.03 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -107.27 122.29 46.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -115.08 138.59 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -109.53 148.5 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.458 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 69.1 mttt 60.91 49.91 5.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.819 0.342 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 1.003 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -60.12 135.79 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.134 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 m -126.38 164.9 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.539 HD13 ' HD3' ' A' ' 92' ' ' ARG . 2.3 mm? -56.94 -22.11 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -76.42 -12.57 84.18 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.503 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -89.77 -44.23 10.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.79 0.329 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.539 ' HD3' HD13 ' A' ' 89' ' ' LEU . 6.9 ptt85 -46.79 147.04 1.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 148.32 -114.14 0.67 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.475 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -140.97 148.92 41.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.867 0.365 . . . . 0.0 110.931 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.726 ' CE1' HD12 ' A' ' 112' ' ' ILE . 57.8 m-85 -131.39 167.41 19.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -145.78 136.41 24.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.46 HD11 HG23 ' A' ' 47' ' ' ILE . 38.9 tp -113.5 117.33 31.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -92.19 134.25 35.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.554 HG13 ' HB2' ' A' ' 45' ' ' PRO . 53.5 t -140.63 109.34 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -134.64 145.27 48.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.79 -75.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.061 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -125.69 -74.26 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -110.78 -16.89 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 88.2 m -90.45 133.02 35.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.3 p -137.84 118.54 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.02 148.0 36.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -147.55 143.97 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 8.8 t -110.17 162.34 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -138.25 125.96 3.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.441 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -119.51 -175.15 2.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.903 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -141.08 132.22 26.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.726 HD12 ' CE1' ' A' ' 95' ' ' TYR . 14.4 mt -112.04 146.49 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.115 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -124.64 130.75 53.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.7 t -116.02 100.97 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -74.81 145.26 43.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.412 ' HA ' ' HG1' ' A' ' 26' ' ' THR . . . -96.55 154.53 38.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.607 0.717 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 153.83 68.5 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.668 2.245 . . . . 0.0 112.383 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 53.6 mmt-85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t -103.45 111.37 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.3 m -38.6 133.16 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.849 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.68 76.9 1.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.6 p -114.24 166.14 11.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.882 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -147.74 116.26 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.13 -94.65 0.16 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -152.87 178.26 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.729 0.3 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -107.18 128.76 54.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.09 148.73 38.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.644 0.735 . . . . 0.0 110.89 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 131.05 20.4 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 51.8 m -78.17 -56.53 4.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.36 -173.78 19.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.495 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.69 HG21 HD21 ' A' ' 41' ' ' LEU . 10.3 p -68.49 -30.73 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.097 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.582 ' HD1' HG13 ' A' ' 14' ' ' VAL . 5.5 m-85 -81.26 97.52 7.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.9 mt -66.98 -32.12 73.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 2.2 tmtp? -137.29 129.12 28.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 13.0 mttm -102.97 142.74 25.19 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.925 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 101.52 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.45 141.67 48.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 79.1 p -57.17 124.95 20.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 22' ' ' VAL . 14.0 m -111.85 117.41 55.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -83.41 129.45 34.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG2' HG21 ' A' ' 87' ' ' VAL . 1.5 m -137.96 168.14 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.091 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -104.53 152.38 22.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.451 HG23 ' HA ' ' A' ' 88' ' ' VAL . 23.5 m -53.99 130.9 39.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.12 -8.43 77.75 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.95 ' O ' HG22 ' A' ' 87' ' ' VAL . 61.1 mmtt -88.62 -175.06 4.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -114.62 124.71 52.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 149.12 22.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.44 ' O ' HG11 ' A' ' 22' ' ' VAL . 21.7 t -138.75 129.87 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.174 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.4 t -131.72 116.21 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.103 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.3 p -103.76 148.8 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.57 163.91 34.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' HG3' ' CB ' ' A' ' 17' ' ' LYS . 58.3 mttt -138.33 154.05 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -135.19 124.42 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.127 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -72.09 111.72 7.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -73.22 -42.72 41.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -46.87 -53.56 11.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.295 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -55.32 -30.26 59.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.69 HD21 HG21 ' A' ' 14' ' ' VAL . 10.9 mt -88.5 142.34 31.09 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.588 0.709 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -38.17 7.97 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -139.82 -175.38 4.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -60.06 119.87 45.61 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.568 0.699 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.584 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.8 161.55 45.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.286 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.5 m -105.93 112.72 25.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.931 HG12 HG11 ' A' ' 80' ' ' VAL . 3.1 mp -87.62 132.09 33.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.883 ' O ' HD12 ' A' ' 97' ' ' LEU . 9.3 mtpt -147.08 139.48 24.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.62 ' CE3' HD22 ' A' ' 82' ' ' LEU . 85.8 m95 -115.51 121.41 42.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -116.4 154.31 30.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.479 ' O ' ' N ' ' A' ' 53' ' ' LYS . 23.8 ttmt -120.02 93.97 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 49.34 -88.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.8 ttmm -55.42 -174.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -73.86 4.02 5.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.4 mt -52.51 150.67 4.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -128.15 115.36 18.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 49' ' ' TRP . 1.7 mt -80.18 -175.76 5.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.95 -173.18 36.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.496 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -128.18 139.21 52.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.906 0.384 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.86 24.36 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.915 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t 71.02 28.27 3.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 168.41 64.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.38 150.18 31.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 86' ' ' LYS . 7.8 ptp180 -48.6 -32.05 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 67.5 m-85 -77.12 117.77 19.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.7 m -123.71 126.48 46.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.427 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 8.0 m-85 -113.87 121.52 44.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -117.7 108.07 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.423 ' OE1' ' N ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -106.3 124.72 50.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.415 ' C ' ' OE1' ' A' ' 69' ' ' GLU . 37.8 m -109.59 108.38 18.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.423 ' N ' ' OE1' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -88.83 112.57 23.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -97.45 155.56 16.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.5 t -102.95 -58.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.98 -70.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 p -68.01 -20.73 65.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 53.97 49.98 17.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.9 p -128.87 134.13 64.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -93.2 121.89 35.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 m -107.77 108.43 19.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.931 HG11 HG12 ' A' ' 47' ' ' ILE . 32.9 m -104.49 139.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -129.48 136.17 49.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.62 HD22 ' CE3' ' A' ' 49' ' ' TRP . 7.6 tp -118.17 108.57 15.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -106.78 137.7 44.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 60.6 mt -130.09 111.41 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -88.98 148.32 20.18 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.499 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 64' ' ' ARG . 32.1 mtmt 60.77 54.17 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.95 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -63.32 157.29 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.451 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.5 m -144.23 167.37 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.521 HD13 ' HD3' ' A' ' 92' ' ' ARG . 0.7 OUTLIER -55.77 -32.44 63.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.978 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.54 -9.54 74.0 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.539 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -93.02 -38.94 11.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.753 0.311 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.521 ' HD3' HD13 ' A' ' 89' ' ' LEU . 7.6 ptt85 -56.38 144.21 31.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -111.23 0.48 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.5 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 1.3 t80 -154.75 146.75 23.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.673 ' CE1' HD12 ' A' ' 112' ' ' ILE . 64.9 m-85 -125.64 179.97 4.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.928 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -149.92 132.65 15.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.883 HD12 ' O ' ' A' ' 48' ' ' LYS . 68.0 tp -113.07 115.02 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -92.42 139.79 30.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.404 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 53.6 t -139.04 120.84 16.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 37.8 tttm -147.31 151.5 36.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.09 -73.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.6 mttt -127.28 -75.2 0.58 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -111.19 -7.42 14.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 90.6 m -100.22 128.82 46.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 31.8 p -130.62 108.25 9.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -127.07 153.41 46.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.0 p -148.75 157.2 43.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.895 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.434 ' SG ' ' CD2' ' A' ' 15' ' ' PHE . 72.0 m -153.33 121.78 6.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.838 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -104.81 157.88 16.48 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.477 ' CD1' ' N ' ' A' ' 110' ' ' PHE . 1.4 p90 -129.93 -175.0 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.901 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -139.16 135.8 34.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.673 HD12 ' CE1' ' A' ' 95' ' ' TYR . 48.0 mt -123.38 150.83 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -126.17 141.16 52.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.415 HG12 ' OG1' ' A' ' 26' ' ' THR . 90.9 t -125.12 91.64 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -79.43 118.77 21.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.739 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -75.22 164.81 58.66 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.581 0.705 . . . . 0.0 111.064 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.739 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.6 Cg_endo -69.75 157.08 61.64 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.9 p -95.09 171.48 8.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 p -94.74 142.5 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.83 160.7 25.69 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -156.79 141.55 16.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.3 t -71.11 158.52 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.56 -129.57 2.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.65 -176.42 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.119 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -127.08 112.01 14.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 13.3 tt0 -123.62 143.44 41.71 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.706 0.765 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' HD2' ' CG ' ' A' ' 10' ' ' GLU . 54.1 Cg_endo -69.73 143.87 52.4 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.656 2.238 . . . . 0.0 112.368 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 p -42.76 -57.19 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 143.02 178.78 19.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.576 HG11 HD21 ' A' ' 41' ' ' LEU . 81.8 t -74.52 -43.07 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CE1' HG21 ' A' ' 99' ' ' VAL . 5.2 m-85 -71.64 100.54 2.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 mt -66.18 -35.43 80.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -137.77 131.19 30.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -102.83 145.55 30.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 105.92 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.296 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' O ' HG13 ' A' ' 22' ' ' VAL . 64.5 m-20 -79.09 129.0 33.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 33.3 m -37.51 133.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 22' ' ' VAL . 35.4 m -123.32 121.41 62.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.3 p -87.06 113.69 23.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 m -117.24 167.8 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.99 139.45 47.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.821 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.1 m -47.14 136.03 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.182 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.88 -4.92 84.94 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.84 ' O ' HG22 ' A' ' 87' ' ' VAL . 34.7 mmtm -98.11 -175.86 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.55 120.89 41.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.4 148.17 26.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.9 t -144.61 124.65 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -115.83 143.96 24.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.0 t -120.25 136.76 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -163.37 145.41 9.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -120.6 161.44 21.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 75.6 t -141.75 122.01 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -73.65 111.43 8.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.483 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -74.77 -53.5 6.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.517 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 24.8 mtpt -35.05 -69.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -39.97 -44.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD13 ' HB3' ' A' ' 45' ' ' PRO . 29.1 mt -67.03 143.54 97.97 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.643 0.735 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.43 ' CG ' ' HB3' ' A' ' 102' ' ' LYS . 54.5 Cg_endo -69.68 -49.05 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.647 ' C ' ' HB1' ' A' ' 101' ' ' ALA . 5.5 t70 -125.52 -175.66 3.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.5 tttm -63.1 119.65 54.22 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.742 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.7 Cg_endo -69.82 148.18 64.1 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.298 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -107.59 112.86 25.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.817 HG23 HD11 ' A' ' 97' ' ' LEU . 4.1 mp -93.73 130.3 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.2 mttp -143.99 123.65 13.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.592 ' CD1' ' CD2' ' A' ' 67' ' ' PHE . 87.8 m95 -89.87 113.59 25.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -108.29 153.17 23.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.631 ' HB2' HD21 ' A' ' 57' ' ' LEU . 15.8 ttmm -109.64 91.26 3.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 46.31 -90.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 51' ' ' LYS . 28.3 mtmt -52.5 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -80.23 43.42 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.75 157.58 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -124.72 115.96 21.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.631 HD21 ' HB2' ' A' ' 51' ' ' LYS . 29.7 mt -69.99 -69.62 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.31 -162.86 12.77 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.523 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -115.16 154.37 29.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 63' ' ' ALA . 28.6 tptt -129.66 157.54 41.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.5 m -45.09 -23.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.11 55.3 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 60' ' ' LYS . . . -99.79 148.03 24.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.759 0.314 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -12.12 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -78.16 109.89 12.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.6 m -119.01 135.43 54.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.592 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 7.6 m-85 -120.21 130.32 54.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -118.77 107.82 14.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -109.85 118.36 36.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.2 t -110.05 102.68 11.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.445 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.5 OUTLIER -93.2 120.87 33.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.445 ' O ' ' CE1' ' A' ' 71' ' ' HIS . 27.7 m-80 -96.87 154.6 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.0 p -100.05 -12.7 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.78 -64.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 76' ' ' ASN . 2.1 m -70.96 -1.98 13.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.454 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 3.7 m120 35.93 51.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.0 p -129.18 135.21 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -102.22 102.48 12.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.2 m -88.49 113.89 24.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -110.36 144.84 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -140.98 123.92 16.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 84' ' ' ILE . 25.0 tp -94.81 120.72 35.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -114.39 116.43 28.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.579 HD11 HD21 ' A' ' 82' ' ' LEU . 49.4 mt -116.99 124.48 73.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -103.18 151.7 17.95 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp 56.51 43.18 26.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -52.72 140.49 8.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.108 179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.0 m -123.56 160.27 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.154 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD13 ' HD3' ' A' ' 92' ' ' ARG . 1.9 mm? -49.68 -34.02 17.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.988 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -26.97 71.35 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.827 ' OD2' HG21 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -70.42 -36.19 73.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.823 0.344 . . . . 0.0 110.865 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.426 ' HD3' HD13 ' A' ' 89' ' ' LEU . 5.6 ptt-85 -59.89 139.46 57.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.86 -95.93 0.15 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.531 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.572 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 1.8 t80 -165.35 144.89 6.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.951 0.405 . . . . 0.0 110.883 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.603 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.1 m-85 -125.53 178.97 5.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.953 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -151.68 143.21 23.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.817 HD11 HG23 ' A' ' 47' ' ' ILE . 30.5 tp -121.13 119.5 32.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -97.95 139.22 34.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.493 HG21 ' CE1' ' A' ' 15' ' ' PHE . 47.4 t -139.49 117.05 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.083 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -147.53 132.57 18.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.647 ' HB1' ' C ' ' A' ' 43' ' ' ASP . . . -113.19 -75.73 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.054 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 42' ' ' PRO . 13.6 tptp -115.17 -69.41 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.21 -16.43 7.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 92.5 m -80.41 135.38 36.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.1 p -135.14 104.92 6.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -128.45 148.47 50.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 p -148.88 152.67 36.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.815 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 1.6 p -120.48 157.91 28.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.15 121.24 2.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.7 OUTLIER -124.42 175.92 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 112' ' ' ILE . 0.3 OUTLIER -133.92 140.9 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.603 HD12 ' CE1' ' A' ' 95' ' ' TYR . 19.0 mt -121.04 146.41 26.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -126.94 135.2 50.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.827 HG21 ' OD2' ' A' ' 91' ' ' ASP . 72.4 t -118.86 102.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -73.3 135.46 44.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -95.08 154.43 39.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.53 0.681 . . . . 0.0 111.129 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 148.03 64.06 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.687 2.258 . . . . 0.0 112.313 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' 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 full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 p -110.01 118.54 36.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -100.03 110.48 22.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.15 173.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -119.59 108.15 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -146.7 111.74 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -47.39 102.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.04 125.8 44.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.748 0.308 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -139.56 150.46 45.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -83.43 151.81 62.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -174.46 0.91 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.363 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 m -74.77 -70.23 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.167 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.7 -153.44 17.41 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG23 ' HD1' ' A' ' 15' ' ' PHE . 15.5 m -88.34 -24.62 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.822 0.344 . . . . 0.0 111.118 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.4 m-85 -101.52 92.63 4.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.4 mt -53.23 -36.06 60.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -147.79 133.59 19.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -104.19 150.92 38.88 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.595 0.712 . . . . 0.0 110.881 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.481 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.1 Cg_endo -69.76 121.21 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 0.0 112.329 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -91.11 131.65 36.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 59.7 p -42.59 123.65 2.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 m -111.8 135.56 50.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 54.5 p -101.17 115.52 30.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 87' ' ' VAL . 2.2 m -120.92 165.4 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -97.86 148.76 23.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.532 HG23 ' HA ' ' A' ' 88' ' ' VAL . 9.8 m -58.14 127.56 32.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 12.33 57.37 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.866 ' O ' HG22 ' A' ' 87' ' ' VAL . 21.1 mmmt -113.23 -176.6 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -108.02 120.67 42.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.31 148.85 24.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.8 t -139.63 141.22 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.118 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 89.5 t -136.24 133.76 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.7 t -110.6 132.39 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.91 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -108.97 155.82 20.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -139.94 120.87 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.175 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -72.57 111.71 7.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -70.86 -50.85 22.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.9 mtmt -38.04 -58.4 0.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -48.33 -41.7 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' HA2' ' A' ' 38' ' ' GLY . 8.4 mt -74.12 140.51 76.88 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.574 0.702 . . . . 0.0 110.923 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 -42.12 3.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.672 2.248 . . . . 0.0 112.301 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -139.28 177.78 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -49.28 120.52 10.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.689 . . . . 0.0 110.914 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 41' ' ' LEU . 54.2 Cg_endo -69.73 170.18 17.16 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.4 m -106.93 112.95 26.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.775 HD12 HG11 ' A' ' 80' ' ' VAL . 25.9 mm -90.68 111.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 6.6 mtpp -148.04 137.62 22.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.758 ' CE3' HD22 ' A' ' 82' ' ' LEU . 76.7 m95 -109.33 156.29 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.435 ' CE1' ' HB3' ' A' ' 48' ' ' LYS . 79.7 m-85 -152.63 160.41 43.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.517 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -120.95 108.47 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 37.15 -91.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.509 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -49.95 -177.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 110.908 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 23.1 p-90 -82.78 24.88 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 27.0 mt -63.3 -177.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -149.58 118.41 6.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.929 HD22 ' CE1' ' A' ' 65' ' ' PHE . 16.9 mt -79.36 -65.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.922 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . -33.71 114.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.476 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.6 t -159.84 158.2 30.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -88.13 -19.67 26.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 m -74.78 -43.32 55.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.09 140.52 16.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.452 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.06 -42.72 4.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -38.4 -43.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.929 ' CE1' HD22 ' A' ' 57' ' ' LEU . 84.0 m-85 -71.06 99.88 1.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.2 m -107.54 145.65 32.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.83 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -131.88 120.52 22.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -120.63 112.24 18.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.37 120.72 38.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.3 t -126.0 124.22 40.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -102.76 136.71 42.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.467 HD22 ' N ' ' A' ' 72' ' ' ASN . 1.5 m-80 -92.65 152.13 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 m -86.97 -34.12 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -88.66 -65.61 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.3 m -59.29 -38.11 79.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 68.56 45.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.26 136.28 60.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -93.28 103.11 15.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 m -83.08 105.3 13.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.153 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.775 HG11 HD12 ' A' ' 47' ' ' ILE . 26.2 m -105.47 142.52 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -134.71 145.54 48.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.758 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.5 tp -120.95 105.93 11.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -104.19 129.18 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 28.5 mt -125.29 111.92 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.098 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -89.02 156.15 26.0 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt 56.34 49.96 14.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.788 0.327 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.866 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.7 m -66.83 137.25 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.532 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.2 m -127.7 167.71 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -54.76 -27.73 43.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.18 -23.54 77.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 92' ' ' ARG . 38.6 m-20 -78.21 -55.85 4.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 91' ' ' ASP . 5.4 ptt85 -35.75 145.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 151.26 -111.5 0.5 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.463 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.502 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.8 OUTLIER -148.09 153.33 38.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.371 . . . . 0.0 110.914 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.639 ' CE1' HD12 ' A' ' 112' ' ' ILE . 29.7 m-85 -140.1 178.09 7.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -156.16 140.07 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 tp -109.89 120.75 43.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -91.7 130.51 37.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -141.98 109.64 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.9 tttt -143.91 118.16 9.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -81.62 -71.91 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -126.7 -66.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -114.99 -28.61 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.808 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.6 m -73.76 121.72 21.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 p -118.6 112.51 19.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.528 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -137.35 131.46 32.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 94.0 p -139.54 143.06 37.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 2.3 t -107.72 160.37 15.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.54 119.15 2.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 13.0 p90 -117.75 -179.75 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.928 0.394 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 110' ' ' PHE . 2.3 m-80 -143.78 133.49 23.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.639 HD12 ' CE1' ' A' ' 95' ' ' TYR . 62.3 mt -111.85 154.5 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.454 ' N ' HG22 ' A' ' 112' ' ' ILE . 2.8 t70 -129.11 137.92 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.53 HG12 ' OG1' ' A' ' 26' ' ' THR . 60.7 t -120.5 92.5 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -64.65 125.0 23.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.56 154.27 93.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.587 0.708 . . . . 0.0 111.07 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 179.96 3.35 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.434 -0.267 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -133.76 119.67 19.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 0.0 110.871 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 t -119.54 80.95 1.65 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.59 44.32 97.93 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -56.33 147.45 21.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 m -108.13 151.84 25.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 95.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.45 107.18 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 0.0 111.119 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -126.14 169.49 12.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -78.55 144.89 66.31 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.634 0.73 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 128.35 15.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.327 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 56.9 m -74.84 -42.67 57.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.3 164.61 10.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.784 HG11 HD21 ' A' ' 41' ' ' LEU . 60.9 t -91.07 -41.46 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.899 0.38 . . . . 0.0 111.167 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.515 ' HE2' HD23 ' A' ' 97' ' ' LEU . 3.3 m-85 -74.59 88.89 2.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 mt -51.54 -31.12 23.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -150.66 128.75 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 3.1 mppt? -100.32 148.89 35.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.895 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 115.82 4.27 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.664 2.243 . . . . 0.0 112.371 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -84.61 146.57 27.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.5 p -53.07 124.43 14.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.63 129.74 73.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.2 p -97.9 133.64 42.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.15 165.73 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -110.81 143.28 41.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -48.27 133.01 16.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.99 2.5 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' O ' HG22 ' A' ' 87' ' ' VAL . 17.1 mmtp -106.5 -175.31 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -115.49 123.73 49.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.815 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.96 147.38 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -139.99 134.79 37.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.1 t -129.75 145.81 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.154 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.6 t -122.41 136.98 57.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.08 131.37 7.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -112.45 152.86 28.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 87.4 t -133.29 126.07 51.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.46 110.77 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.11 -42.92 34.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.497 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -49.71 -62.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.714 0.293 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -48.12 -30.45 4.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.784 HD21 HG11 ' A' ' 14' ' ' VAL . 28.5 mt -82.89 145.47 50.03 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.63 0.729 . . . . 0.0 110.917 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -43.0 2.9 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.723 2.282 . . . . 0.0 112.31 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -143.11 -178.63 5.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -56.39 121.2 41.31 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.552 0.691 . . . . 0.0 110.861 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.5 Cg_endo -69.79 -176.05 1.36 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.319 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.3 m -124.85 113.34 17.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.873 HG12 HG11 ' A' ' 80' ' ' VAL . 3.8 mp -92.11 116.9 34.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.4 mttp -143.99 124.45 13.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.495 ' CD1' ' CE2' ' A' ' 67' ' ' PHE . 64.1 m95 -100.68 127.46 47.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -117.17 140.85 49.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 53' ' ' LYS . 69.8 tttt -104.79 109.61 21.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 40.07 -91.58 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 51' ' ' LYS . 7.9 ttmt -51.76 -173.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.321 . . . . 0.0 110.902 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -82.83 22.88 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.5 mt -63.92 173.46 1.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -139.24 127.91 23.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.455 HD12 ' CB ' ' A' ' 49' ' ' TRP . 6.9 mt -99.43 169.63 9.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' HA2' ' CE1' ' A' ' 67' ' ' PHE . . . 128.75 142.92 5.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.4 t -167.97 149.33 5.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.984 0.421 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -112.64 -40.16 4.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.5 p -57.77 -48.81 78.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.2 125.41 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.431 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.75 160.82 25.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.767 0.317 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 -37.82 -38.46 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -80.03 96.47 6.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 56.5 m -107.63 123.07 47.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.495 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 37.5 m-85 -108.32 125.91 52.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -114.04 110.08 19.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -114.8 118.72 34.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.2 t -121.64 109.18 14.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.405 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 3.5 p80 -89.04 127.82 35.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -85.9 155.16 21.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 72.4 p -95.55 -45.36 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -71.58 -67.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.074 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.2 t -66.05 -29.25 69.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.8 t30 65.62 37.7 5.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.3 p -110.62 141.84 24.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.18 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -98.23 124.13 42.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.446 HG22 ' OE1' ' A' ' 81' ' ' GLU . 46.2 m -107.15 107.3 18.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.138 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.873 HG11 HG12 ' A' ' 47' ' ' ILE . 30.1 m -108.79 137.65 39.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.446 ' OE1' HG22 ' A' ' 79' ' ' THR . 2.1 mp0 -137.03 130.02 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 17.4 tp -99.42 119.99 38.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -117.83 133.25 56.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.3 mt -130.69 126.16 59.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -96.45 155.92 21.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp 51.36 43.86 29.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -44.83 142.38 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.137 179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 29.4 m -122.18 158.62 25.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -50.03 -33.48 18.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.79 -24.78 75.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.521 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.55 -27.74 62.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.823 0.344 . . . . 0.0 110.908 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -66.37 139.53 58.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.71 -112.07 0.53 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.493 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 0.0 OUTLIER -151.91 155.06 37.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.934 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 47.6 m-85 -133.08 171.93 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 42.4 ttm-85 -140.09 132.01 27.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.826 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.515 HD23 ' HE2' ' A' ' 15' ' ' PHE . 58.0 tp -109.19 114.48 28.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.962 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -93.27 136.37 33.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.406 HG21 ' CZ ' ' A' ' 15' ' ' PHE . 92.3 t -143.31 116.4 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -143.31 130.31 20.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -105.47 -75.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -127.88 -74.37 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -109.3 -19.96 13.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 87.1 m -85.5 136.47 33.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 21.6 p -135.44 117.81 15.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -141.45 143.28 33.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.1 p -149.66 141.76 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 95.8 m -133.07 140.78 47.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -116.45 153.01 17.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.1 p90 -125.61 179.27 5.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.908 0.385 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -131.16 128.26 39.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 44.3 mt -116.88 148.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -128.37 140.26 51.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.7 t -123.31 96.05 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -67.25 131.62 46.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.45 151.15 52.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 111.09 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 161.92 44.05 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.694 2.263 . . . . 0.0 112.374 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.859 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 t -89.11 -50.57 6.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -135.96 127.8 29.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.47 -71.29 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -131.75 132.45 43.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m -124.22 92.49 3.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.18 123.47 0.8 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -172.25 132.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.743 0.306 . . . . 0.0 111.084 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -91.08 136.75 32.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -121.42 143.69 38.29 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 125.35 12.08 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.721 2.281 . . . . 0.0 112.317 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.3 m -96.83 -45.56 6.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.107 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -166.15 -175.51 36.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.503 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 41' ' ' LEU . 58.0 t -54.56 -40.19 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.873 0.368 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -71.12 87.67 0.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 13.0 mt -52.38 -43.52 64.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -133.01 131.22 40.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -101.74 143.36 26.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.605 0.717 . . . . 0.0 110.942 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.71 122.66 9.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' O ' HG13 ' A' ' 22' ' ' VAL . 25.2 m-20 -94.39 137.61 33.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.3 t -43.2 145.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 20' ' ' ASP . 21.9 m -139.66 121.55 16.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 t -94.59 117.08 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.571 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.7 m -117.73 168.42 9.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -96.7 135.43 38.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.675 ' OG1' HG12 ' A' ' 114' ' ' VAL . 29.4 m -46.19 133.13 9.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.7 -14.11 65.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.77 ' O ' HG22 ' A' ' 87' ' ' VAL . 16.5 mmtp -89.57 -175.41 4.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -112.48 120.71 42.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.69 153.91 23.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG13 ' NE2' ' A' ' 83' ' ' HIS . 91.1 t -144.11 135.84 22.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 83.7 t -128.5 140.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -110.05 135.52 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.02 124.79 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 42.7 mttp -107.71 154.32 21.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.466 ' CG1' HD11 ' A' ' 41' ' ' LEU . 84.4 t -133.22 127.3 54.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.48 ' O ' HD12 ' A' ' 41' ' ' LEU . 16.9 t-20 -71.57 117.48 13.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.28 -48.97 7.76 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 mttp -49.31 -63.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -42.14 -46.83 4.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.6 HD21 HG11 ' A' ' 14' ' ' VAL . 13.8 mt -65.14 147.18 98.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.593 0.711 . . . . 0.0 110.952 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.47 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.7 Cg_endo -69.72 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.706 2.271 . . . . 0.0 112.348 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.479 ' HB2' ' CG ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -139.59 -177.82 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -50.8 114.8 5.05 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.628 0.727 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 175.22 8.4 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 97.6 m -128.83 112.75 14.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.8 HG12 HG11 ' A' ' 80' ' ' VAL . 3.9 mp -89.22 134.68 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.5 mttm -149.51 122.99 9.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.803 ' CE3' HD22 ' A' ' 82' ' ' LEU . 66.5 m95 -99.9 129.75 46.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -118.16 157.31 27.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' GLY . 50.0 tttt -118.65 112.69 20.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 33.65 -100.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -75.34 48.85 0.44 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.7 mt -91.44 174.26 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -134.6 126.13 28.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -96.2 178.72 5.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 57' ' ' LEU . . . 34.33 84.32 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.485 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.2 t -107.67 41.28 1.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.985 0.421 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.9 tttm 49.67 41.64 22.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.8 p -114.13 -50.65 2.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.41 56.25 0.19 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.527 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -103.83 156.34 17.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.816 0.341 . . . . 0.0 111.079 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 63' ' ' ALA . 25.4 ptt180 -34.49 -40.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 57' ' ' LEU . 35.4 m-85 -54.46 105.46 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.8 m -105.55 161.2 14.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.841 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.483 ' CE2' ' CD1' ' A' ' 49' ' ' TRP . 25.8 m-85 -141.07 120.81 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -112.22 110.84 21.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -119.78 126.58 51.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 93.0 p -122.82 118.27 27.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -97.16 122.68 40.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -92.8 146.45 23.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.6 m -87.3 -45.45 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -78.53 -48.08 15.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.084 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.9 t -71.55 -42.67 67.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 30.3 t30 69.92 42.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 36' ' ' VAL . 7.6 p -126.57 139.55 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -97.59 100.42 11.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 97.9 m -87.14 108.18 18.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.145 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 47' ' ' ILE . 18.7 m -106.65 140.36 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -136.98 122.61 19.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.803 HD22 ' CE3' ' A' ' 49' ' ' TRP . 34.0 tp -93.12 119.84 32.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.817 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.2 m170 -115.59 128.92 56.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.9 mt -117.33 107.97 23.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -83.83 143.4 21.42 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.497 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? 61.9 50.79 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.819 0.343 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.77 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.7 m -57.17 150.79 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.439 ' HA ' HG23 ' A' ' 26' ' ' THR . 31.1 m -138.16 162.93 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -50.98 -35.39 33.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -63.59 -23.62 67.11 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.488 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 92' ' ' ARG . 71.8 m-20 -77.02 -56.22 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.794 0.331 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.528 ' HB3' HG23 ' A' ' 114' ' ' VAL . 3.5 ptt85 -36.54 137.56 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 150.76 -106.68 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.521 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.54 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -153.53 158.96 42.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.901 0.382 . . . . 0.0 110.926 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.61 ' CE1' HD12 ' A' ' 112' ' ' ILE . 84.6 m-85 -141.55 177.2 8.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.914 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -142.61 143.77 32.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 60.3 tp -122.12 108.55 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.933 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -92.86 134.99 34.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 82.6 t -139.44 127.62 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.17 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 tttt -150.98 127.58 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.46 -74.43 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' CG ' ' HB2' ' A' ' 43' ' ' ASP . 1.0 OUTLIER -125.86 -65.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -117.46 -30.12 5.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 95.0 m -71.63 140.37 49.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.9 p -137.88 113.22 9.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -138.22 141.86 39.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 86.0 p -143.69 143.84 31.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 1.9 t -118.53 159.79 22.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.03 128.21 4.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 10.4 p90 -120.07 175.95 5.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -137.74 125.48 22.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.61 HD12 ' CE1' ' A' ' 95' ' ' TYR . 67.6 mt -110.77 148.96 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.71 147.96 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.675 HG12 ' OG1' ' A' ' 26' ' ' THR . 47.7 t -129.47 94.79 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.133 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -82.37 123.68 29.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.602 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -49.25 161.17 0.47 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.559 0.695 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.602 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.8 Cg_endo -69.77 172.48 12.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p 45.57 42.18 7.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 p -147.87 167.17 25.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.2 109.51 0.22 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -116.95 145.66 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.372 . . . . 0.0 110.876 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 t -101.57 86.24 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.03 -114.85 1.3 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.65 156.49 9.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 0.0 111.081 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -122.44 141.9 51.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -151.78 131.81 7.09 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.633 0.73 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.98 61.6 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.2 p -76.78 -35.8 57.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 89.33 167.73 43.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -88.07 -50.74 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' CE2' ' HB2' ' A' ' 108' ' ' CYS . 4.1 m-85 -65.12 88.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -59.13 -37.34 77.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 8.8 tmtm? -129.56 128.62 43.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 17' ' ' LYS . 30.3 mttt -99.71 141.05 22.09 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 99.24 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.656 2.237 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.94 140.29 47.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.864 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.7 p -53.77 133.49 42.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.6 m -119.75 127.26 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.9 p -93.17 125.72 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 87' ' ' VAL . 1.6 m -134.86 168.23 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -111.09 143.27 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.572 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.3 m -43.65 141.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.195 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.38 -8.88 62.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.843 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.0 mmtt -91.47 -175.8 4.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.3 121.35 36.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.31 155.59 18.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.7 t -147.86 124.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 85.5 t -117.98 132.31 68.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.631 HG22 ' OE2' ' A' ' 81' ' ' GLU . 40.8 t -113.4 136.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.42 157.77 43.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' N ' ' HB3' ' A' ' 17' ' ' LYS . 33.3 mmtt -125.37 154.99 41.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 67.2 t -139.92 119.28 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 41.7 t-20 -71.53 116.01 11.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.18 -36.67 30.61 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.514 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -52.21 -66.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -41.15 -41.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.7 mt -75.59 145.16 78.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.63 0.729 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -38.83 7.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -145.46 179.92 7.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ttpp -54.87 121.48 35.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.601 0.715 . . . . 0.0 110.853 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.76 178.26 4.75 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.664 2.242 . . . . 0.0 112.333 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.634 HG22 ' HG3' ' A' ' 48' ' ' LYS . 99.1 m -111.72 112.81 24.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.508 HD12 HG11 ' A' ' 80' ' ' VAL . 31.0 mm -88.93 120.21 37.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.634 ' HG3' HG22 ' A' ' 46' ' ' THR . 18.3 mtmm -149.3 129.82 13.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.644 ' CE3' HD22 ' A' ' 82' ' ' LEU . 86.0 m95 -104.7 117.31 33.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.943 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -107.8 143.24 36.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.485 ' HA ' ' CD2' ' A' ' 95' ' ' TYR . 29.1 tttm -97.02 107.4 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 34.06 -93.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.454 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 51' ' ' LYS . 1.5 ttmm -51.68 -174.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.754 0.311 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -76.24 47.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.9 mt -106.83 138.16 43.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -105.55 153.08 22.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 49' ' ' TRP . 15.3 mt -115.63 172.06 7.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.61 -45.39 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -66.55 78.06 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 tttm -173.25 146.73 1.46 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m -66.43 -58.84 4.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -126.09 124.23 5.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.482 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -163.35 144.0 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.324 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.31 -14.28 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -72.56 111.22 7.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.6 t -118.09 157.8 26.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.822 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.643 ' CD2' ' CD1' ' A' ' 49' ' ' TRP . 5.1 m-85 -146.62 136.97 23.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.855 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -135.77 109.89 8.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -104.55 138.78 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.5 m -130.9 118.52 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -101.5 122.17 43.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -95.26 140.36 30.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.3 p -79.71 -41.41 26.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -81.68 -58.63 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.07 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.7 m -59.65 -39.55 84.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.4 t30 69.97 33.88 2.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG21 ' HD2' ' A' ' 35' ' ' LYS . 7.2 p -122.67 148.12 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -105.31 112.15 25.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.3 m -88.35 102.76 15.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.508 HG11 HD12 ' A' ' 47' ' ' ILE . 33.5 m -111.67 128.76 68.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.631 ' OE2' HG22 ' A' ' 33' ' ' VAL . 0.4 OUTLIER -122.53 167.86 12.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.923 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.644 HD22 ' CE3' ' A' ' 49' ' ' TRP . 36.2 tp -135.11 110.67 9.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -104.45 125.23 50.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -122.87 105.0 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.09 150.6 22.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 62.6 mttt 55.37 52.5 11.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.354 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.843 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.8 m -62.29 148.76 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.572 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.5 m -132.67 169.98 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.77 -34.51 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.2 -22.71 72.84 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -33.92 58.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.5 ptt85 -59.6 136.27 57.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 111' ' ' ASN . . . 153.17 -119.25 0.94 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.34 151.38 37.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.409 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.622 ' CE1' HD12 ' A' ' 112' ' ' ILE . 68.5 m-85 -130.79 165.79 22.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -132.26 131.43 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.0 tp -109.18 113.31 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -91.73 137.18 32.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.585 HG13 ' HB2' ' A' ' 45' ' ' PRO . 86.5 t -146.93 111.66 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 46' ' ' THR . 1.0 OUTLIER -142.76 156.24 44.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.425 ' N ' ' HD2' ' A' ' 100' ' ' LYS . . . -130.84 -75.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -124.4 -74.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -109.41 -15.08 14.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.3 m -94.87 123.65 38.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 6.6 t -131.31 109.16 10.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -130.59 145.51 51.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 82.2 p -142.76 145.38 33.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.495 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 4.1 t -128.72 135.9 49.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -113.27 141.81 17.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 2.0 p90 -121.81 -178.03 3.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.909 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.41 ' CG ' ' O ' ' A' ' 93' ' ' GLY . 3.4 t-20 -137.06 139.03 41.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.622 HD12 ' CE1' ' A' ' 95' ' ' TYR . 66.8 mt -128.2 147.83 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -125.14 139.69 53.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' O ' ' A' ' 88' ' ' VAL . 58.9 t -122.47 95.53 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.163 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.81 130.62 34.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.61 149.34 98.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.611 0.72 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 160.13 50.84 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.326 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 3' ' ' SER . 65.7 m -112.06 83.79 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 110.91 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 2' ' ' SER . 53.5 p 34.71 42.17 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.26 141.98 4.05 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.535 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.5 t -124.28 147.45 48.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -160.76 160.68 31.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.74 -145.57 17.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.13 141.89 32.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -170.67 112.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.64 152.65 12.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.627 0.727 . . . . 0.0 110.899 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -179.9 3.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 13' ' ' GLY . 9.8 t -127.17 -44.71 1.58 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.47 ' N ' HG23 ' A' ' 12' ' ' THR . . . 168.36 176.42 38.72 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.674 HG11 HD21 ' A' ' 41' ' ' LEU . 99.2 t -71.85 -46.05 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.486 ' CE2' HD23 ' A' ' 97' ' ' LEU . 4.4 m-85 -69.23 91.18 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -57.0 -33.47 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.951 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -147.01 128.65 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -96.73 146.34 31.13 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.564 0.697 . . . . 0.0 110.929 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.76 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.277 . . . . 0.0 112.288 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -73.04 138.36 45.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.3 p -48.62 146.79 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 22' ' ' VAL . 29.2 m -138.71 119.36 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -87.29 122.74 31.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.2 m -123.56 167.99 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -104.64 136.91 43.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.672 ' OG1' HG12 ' A' ' 114' ' ' VAL . 25.4 m -44.73 132.68 6.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.38 -13.08 68.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.86 ' O ' HG22 ' A' ' 87' ' ' VAL . 71.5 mmtt -89.69 -175.74 4.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.48 122.94 48.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.05 156.47 19.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' NE2' ' A' ' 83' ' ' HIS . 89.8 t -147.17 138.42 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.441 HG21 ' CE2' ' A' ' 110' ' ' PHE . 93.3 t -133.08 137.49 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.7 t -112.59 138.62 41.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.41 135.85 10.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.046 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.0 mttp -117.07 154.25 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 t -136.28 119.55 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.429 ' CG ' ' HG3' ' A' ' 40' ' ' GLU . 9.5 t-20 -71.73 109.2 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -71.54 -32.44 64.6 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.522 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -60.11 -53.89 52.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' HG3' ' CG ' ' A' ' 37' ' ' ASN . 10.9 mt-10 -51.31 -39.14 56.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 HG21 ' A' ' 104' ' ' THR . 6.6 mt -79.7 141.71 56.21 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.648 0.737 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.52 2.64 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.719 2.279 . . . . 0.0 112.345 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -129.29 176.42 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -59.02 121.71 57.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.543 0.687 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.2 Cg_endo -69.78 -172.17 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.1 m -132.14 119.26 20.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.823 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -101.67 107.06 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -135.87 124.26 23.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.401 ' HZ3' ' CE1' ' A' ' 110' ' ' PHE . 72.1 m95 -92.23 135.62 33.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -126.98 149.58 49.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 32.0 ttmt -117.4 99.86 7.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 45.32 -89.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.486 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -51.64 -174.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.739 0.304 . . . . 0.0 110.912 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 14.3 p-90 -82.21 39.06 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.3 mt -87.67 131.04 34.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -107.4 116.87 32.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.836 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.98 161.32 14.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.561 ' HA2' ' CE2' ' A' ' 67' ' ' PHE . . . 113.02 78.19 0.85 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.49 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.4 m -153.69 157.12 39.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.91 0.386 . . . . 0.0 110.902 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.55 42.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.9 t -70.13 -43.07 71.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.15 42.22 0.78 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' PHE . . . -116.93 154.78 30.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 0.0 111.096 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.13 -30.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' ALA . 64.6 m-85 -55.13 108.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.5 m -116.36 159.37 22.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.561 ' CE2' ' HA2' ' A' ' 58' ' ' GLY . 12.2 m-85 -148.58 121.61 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -115.66 133.17 56.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.506 ' HG2' HG12 ' A' ' 80' ' ' VAL . 1.3 tm-20 -140.15 121.54 15.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 51.8 p -120.16 126.88 51.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.83 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.472 ' O ' ' CG ' ' A' ' 71' ' ' HIS . 1.7 p80 -106.98 122.97 47.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -86.42 154.64 21.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.3 m -91.85 -54.69 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.12 -50.84 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.45 ' HB3' HG12 ' A' ' 77' ' ' VAL . 1.1 t -56.79 -43.59 81.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 70.47 35.43 1.96 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 75' ' ' SER . 6.7 p -125.27 144.61 34.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -104.11 125.57 50.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 59.3 m -109.87 109.38 20.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.823 HG11 HG12 ' A' ' 47' ' ' ILE . 26.1 m -112.52 144.91 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -146.0 137.22 24.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 HD21 HD11 ' A' ' 84' ' ' ILE . 31.5 tp -105.19 123.76 48.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.5 m-70 -117.69 121.23 40.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.454 HD11 HD21 ' A' ' 82' ' ' LEU . 31.5 mt -120.99 106.32 18.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.76 147.14 20.32 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.511 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt 66.21 39.12 4.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.86 HG22 ' O ' ' A' ' 28' ' ' LYS . 11.0 m -49.8 160.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.601 ' HA ' HG23 ' A' ' 26' ' ' THR . 27.9 m -149.23 166.77 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.09 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -53.09 -39.21 63.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -62.12 -21.42 61.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.504 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -82.41 -50.61 8.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.792 0.33 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -39.21 139.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.48 -117.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.477 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CZ ' ' O ' ' A' ' 95' ' ' TYR . 0.6 OUTLIER -153.03 144.74 23.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.742 ' CE1' HD12 ' A' ' 112' ' ' ILE . 54.0 m-85 -120.21 173.8 6.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.3 ttp180 -147.94 129.27 14.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.873 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.486 HD23 ' CE2' ' A' ' 15' ' ' PHE . 47.6 tp -101.25 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -91.8 126.36 36.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.1 t -139.69 111.65 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.2 tttp -124.4 152.91 42.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 104' ' ' THR . . . -145.65 178.02 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 101' ' ' ALA . 26.9 mmtt -37.63 -68.05 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -125.6 26.28 6.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.945 HG21 HD23 ' A' ' 41' ' ' LEU . 85.1 m -135.78 110.31 8.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.6 p -120.19 120.2 35.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -149.98 149.74 30.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 92.5 p -148.63 142.02 25.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 15' ' ' PHE . 74.2 m -138.26 136.64 36.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.21 162.09 12.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 0.8 OUTLIER -128.51 -175.0 3.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.875 0.369 . . . . 0.0 110.873 -179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -138.29 137.78 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.742 HD12 ' CE1' ' A' ' 95' ' ' TYR . 53.5 mt -131.08 151.54 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -130.7 138.71 50.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.672 HG12 ' OG1' ' A' ' 26' ' ' THR . 98.0 t -117.19 98.89 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.58 126.57 35.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.493 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -63.08 157.87 59.01 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.493 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.7 Cg_endo -69.78 167.6 24.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.371 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.8 tpm_? . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -114.36 37.17 3.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.855 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -150.68 143.02 24.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.4 -48.9 0.54 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.7 m -116.59 99.31 7.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.867 0.365 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 m -141.65 147.08 36.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.15 63.61 2.47 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -81.87 100.04 9.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.311 . . . . 0.0 111.123 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.63 93.1 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -119.79 156.17 54.25 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.654 0.74 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 123.26 9.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.375 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 13' ' ' GLY . 9.3 t -50.0 -42.3 48.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 12' ' ' THR . . . 110.3 173.13 20.28 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.471 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.773 HG11 HD21 ' A' ' 41' ' ' LEU . 58.2 t -72.52 -45.15 60.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 111.152 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.451 ' HE2' HD23 ' A' ' 97' ' ' LEU . 7.0 m-85 -71.81 98.46 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.72 -43.38 97.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -133.31 130.14 38.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.8 mttt -98.56 142.7 25.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.614 0.721 . . . . 0.0 110.897 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 110.37 2.54 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.694 2.263 . . . . 0.0 112.373 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -81.85 148.44 28.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 98.9 p -54.93 142.17 30.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 112' ' ' ILE . 35.1 m -136.86 117.86 17.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.9 p -88.11 122.18 31.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 m -124.72 167.22 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.108 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -98.7 139.03 35.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.743 ' OG1' HG12 ' A' ' 114' ' ' VAL . 21.5 m -50.09 129.83 21.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.5 -13.3 62.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.519 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.833 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.7 mmtp -89.08 -175.01 4.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -110.37 120.55 42.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 87' ' ' VAL . . . -83.65 154.52 23.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.46 139.44 21.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.3 t -138.1 132.33 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.112 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.2 t -108.65 141.1 24.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.15 128.59 6.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -104.32 154.74 19.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.0 t -137.51 121.38 22.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -72.77 113.73 10.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -74.95 -48.2 12.13 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.469 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.68 -61.76 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.763 0.316 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -46.64 -43.55 17.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.773 HD21 HG11 ' A' ' 14' ' ' VAL . 18.7 mt -70.75 141.33 87.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.7 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.73 7.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -143.84 -177.28 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -57.23 118.81 26.88 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.561 0.696 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.7 Cg_endo -69.79 164.87 32.97 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.342 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.586 HG22 ' HG3' ' A' ' 48' ' ' LYS . 86.3 m -101.28 113.23 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.44 HD12 HG11 ' A' ' 80' ' ' VAL . 22.7 mm -90.72 110.9 22.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.586 ' HG3' HG22 ' A' ' 46' ' ' THR . 70.0 mttt -141.09 125.42 17.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -95.25 146.06 24.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -142.82 158.38 43.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 53' ' ' LYS . 21.2 ttmt -122.95 100.96 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 43.36 -93.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.51 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.1 ttmt -50.18 -178.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -81.67 39.59 0.55 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.2 mt -83.27 164.53 20.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -132.92 114.73 14.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 HD22 ' CE2' ' A' ' 65' ' ' PHE . 13.9 mt -80.17 -179.81 7.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 74.14 86.27 0.25 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -92.14 -56.65 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.926 0.393 . . . . 0.0 110.846 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -135.74 156.9 48.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.4 t -55.6 -49.71 72.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -90.58 76.71 1.56 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.519 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 64' ' ' ARG . . . -148.46 153.7 38.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.759 0.314 . . . . 0.0 111.113 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 63' ' ' ALA . 6.7 ptm180 -34.36 -42.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 64' ' ' ARG . 41.5 m-85 -74.41 104.81 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 m -112.07 123.0 49.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -110.6 118.2 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -111.5 133.71 53.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -133.97 123.97 25.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.7 t -132.17 116.26 16.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -101.86 135.85 42.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -93.4 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.0 t -74.29 -54.9 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.97 -53.21 10.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.14 -45.01 95.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 72.49 42.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.26 141.4 45.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -102.18 111.84 24.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.1 m -93.81 96.5 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.152 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 47' ' ' ILE . 32.2 m -100.82 134.21 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -132.94 132.75 42.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.6 tp -105.15 119.83 40.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -114.93 121.64 43.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -112.7 107.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -84.21 142.38 20.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.509 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.406 ' O ' ' NH2' ' A' ' 64' ' ' ARG . 82.3 mttt 62.83 49.53 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 28' ' ' LYS . 12.6 m -57.4 156.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.669 ' HA ' HG23 ' A' ' 26' ' ' THR . 32.1 m -146.31 161.95 10.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -48.31 -36.68 14.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -57.07 -29.71 59.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 92' ' ' ARG . 2.1 m-20 -76.64 -53.23 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 0.0 110.849 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' C ' ' O ' ' A' ' 91' ' ' ASP . 3.8 ptt-85 -35.32 136.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 153.7 -116.69 0.75 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.476 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -150.75 133.33 15.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.912 0.387 . . . . 0.0 110.926 -179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.771 ' CE1' HD12 ' A' ' 112' ' ' ILE . 25.8 m-85 -114.21 177.41 4.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -150.9 136.11 17.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 HD23 ' HE2' ' A' ' 15' ' ' PHE . 44.2 tp -111.68 119.1 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -95.43 137.93 33.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.46 HG13 ' HB2' ' A' ' 45' ' ' PRO . 62.5 t -143.41 132.13 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.8 tttp -162.27 126.04 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -93.76 -74.93 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -122.83 -64.47 1.18 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -116.87 -32.69 5.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.4 m -67.63 141.35 56.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.163 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.7 p -138.49 118.41 13.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -141.96 132.9 25.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 83.5 p -139.05 138.65 37.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 5.5 t -113.64 162.39 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -139.3 125.78 3.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 3.8 p90 -115.91 179.84 3.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.907 0.384 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.404 ' ND2' ' HB2' ' A' ' 94' ' ' TYR . 4.1 t-20 -139.19 140.24 37.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.771 HD12 ' CE1' ' A' ' 95' ' ' TYR . 57.7 mt -129.7 143.75 40.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -123.23 126.05 46.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.743 HG12 ' OG1' ' A' ' 26' ' ' THR . 82.5 t -101.9 93.33 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -68.6 119.88 13.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.479 ' HB1' ' HD2' ' A' ' 117' ' ' PRO . . . -60.47 157.02 38.62 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 0.0 111.08 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.479 ' HD2' ' HB1' ' A' ' 116' ' ' ALA . 53.5 Cg_endo -69.72 179.09 3.92 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.3 ttp85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 t -150.45 172.16 15.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -137.78 121.79 17.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.18 137.02 2.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.0 m -142.81 117.79 10.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.816 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.7 p -141.68 137.87 32.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.44 -124.44 0.78 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -123.28 36.74 4.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 111.092 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -98.38 167.97 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.95 125.25 24.19 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 117.48 5.11 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.661 2.241 . . . . 0.0 112.358 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.466 HG22 ' O ' ' A' ' 12' ' ' THR . 8.0 m -86.75 38.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.18 -171.33 25.08 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.6 HG23 ' HD1' ' A' ' 15' ' ' PHE . 17.0 m -76.96 -25.85 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.86 0.362 . . . . 0.0 111.104 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.6 ' HD1' HG23 ' A' ' 14' ' ' VAL . 4.5 m-85 -80.37 92.09 5.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.87 -34.36 62.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' CD ' ' HA ' ' A' ' 34' ' ' ALA . 1.2 tmtp? -145.42 128.82 16.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -102.97 145.63 30.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.559 0.695 . . . . 0.0 110.919 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.427 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.77 118.61 5.78 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.702 2.268 . . . . 0.0 112.327 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.433 ' O ' HG13 ' A' ' 22' ' ' VAL . 82.6 m-20 -92.21 133.68 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.5 t -38.09 146.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.8 m -138.27 119.42 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 43.1 p -88.15 113.6 23.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.403 HG21 HG21 ' A' ' 87' ' ' VAL . 4.0 m -117.1 165.15 12.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.158 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -101.4 144.35 30.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.557 HG23 ' HA ' ' A' ' 88' ' ' VAL . 8.0 m -52.58 131.2 33.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.45 13.15 63.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.779 ' O ' HG22 ' A' ' 87' ' ' VAL . 22.3 mmmt -112.8 -175.85 2.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -116.1 120.83 40.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 151.44 21.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG13 ' NE2' ' A' ' 83' ' ' HIS . 75.9 t -141.03 127.66 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.427 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 92.2 t -119.31 148.81 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.9 t -126.86 142.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.166 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' HA ' ' CD ' ' A' ' 17' ' ' LYS . . . -164.19 142.07 7.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.149 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -113.55 156.88 22.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.75 118.62 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -72.19 101.27 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.769 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -68.79 -46.89 58.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -39.88 -58.92 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.763 0.316 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.96 -41.73 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.769 HD12 ' HA2' ' A' ' 38' ' ' GLY . 10.0 mt -69.03 140.61 91.19 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.622 0.725 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -26.7 27.3 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.63 2.22 . . . . 0.0 112.351 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -155.68 179.39 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttpp -53.76 117.88 13.6 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.567 0.699 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 Cg_endo -69.75 171.82 13.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.247 . . . . 0.0 112.363 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -116.91 113.28 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.67 HG12 HG11 ' A' ' 80' ' ' VAL . 4.7 mp -93.98 126.54 46.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -145.76 123.18 11.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.603 ' CE3' HD22 ' A' ' 82' ' ' LEU . 89.6 m95 -93.17 123.75 36.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -110.54 151.4 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' LYS . 49.9 tttt -117.88 104.14 10.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 51' ' ' LYS . . . 36.9 -92.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' LYS . 15.8 ttpp -47.83 175.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.32 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 27.3 p-90 -76.03 48.59 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.3 mt -97.38 141.95 29.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -112.91 98.48 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.4 mt -66.36 162.82 19.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.12 84.72 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.514 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.4 m -159.07 116.88 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 ttpp -83.48 37.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 t -91.46 41.43 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.842 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.48 53.63 31.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.546 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -119.14 142.69 47.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 111.133 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.16 -29.71 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.878 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -59.59 107.8 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -126.19 157.9 36.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -138.57 140.16 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -130.9 113.79 14.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.602 ' HG3' HG12 ' A' ' 80' ' ' VAL . 20.1 tt0 -112.61 132.59 55.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.1 m -125.96 101.88 7.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.799 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' A' ' 71' ' ' HIS . 2.2 p80 -90.28 121.58 32.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -86.41 152.36 22.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.3 t -88.61 -42.92 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -80.38 -55.88 4.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -67.81 -34.74 77.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 64.71 46.97 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.7 p -126.22 138.97 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -100.87 102.17 13.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.4 m -86.32 106.97 17.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.139 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG11 HG12 ' A' ' 47' ' ' ILE . 22.2 m -103.13 139.37 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -134.11 126.28 29.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.603 HD22 ' CE3' ' A' ' 49' ' ' TRP . 22.8 tp -96.73 112.34 24.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.5 ' NE2' HG13 ' A' ' 31' ' ' VAL . 12.3 m-70 -106.27 124.5 49.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.1 120.73 63.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -100.99 153.13 19.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.6 mttp 57.94 49.89 11.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.9 m -65.33 136.42 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 26' ' ' THR . 15.8 m -128.44 168.37 21.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -53.97 -29.48 43.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.2 -19.35 73.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 92' ' ' ARG . 5.0 m-20 -83.32 -54.51 4.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 91' ' ' ASP . 2.0 ptt85 -36.33 141.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 156.83 -109.73 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 1.0 OUTLIER -155.19 146.31 22.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.384 . . . . 0.0 110.891 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 110' ' ' PHE . 72.3 m-85 -126.25 177.21 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.932 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -152.77 141.99 21.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 15' ' ' PHE . 45.2 tp -115.68 121.8 43.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -102.48 133.09 48.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 54.8 t -139.18 135.9 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -164.81 125.71 2.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -96.15 -70.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.06 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.435 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 30.4 mmtt -131.58 -64.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -113.56 -32.0 6.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 99.0 m -71.38 140.39 50.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 24.7 p -137.13 113.3 9.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -135.52 144.75 46.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 96.2 p -148.34 143.55 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.3 m -134.3 138.0 44.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -117.61 151.93 17.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 95' ' ' TYR . 1.8 p90 -127.37 -175.37 3.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -140.94 130.52 24.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.554 HD12 ' CE1' ' A' ' 95' ' ' TYR . 77.0 mt -121.74 140.72 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -123.73 128.37 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.829 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.433 HG12 ' OG1' ' A' ' 26' ' ' THR . 92.5 t -104.98 90.77 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -66.15 130.19 42.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -75.68 153.87 85.36 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 111.111 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 173.76 10.55 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p -62.6 151.54 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 t -51.7 -47.37 63.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.16 -162.41 34.46 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -53.74 -45.69 70.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.861 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -62.53 153.45 31.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.18 -65.53 0.33 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.04 148.25 52.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -69.92 120.74 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.2 151.09 83.49 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.646 0.736 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 131.91 22.2 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.635 2.223 . . . . 0.0 112.346 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.0 p -90.21 -35.96 15.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.167 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.22 163.74 6.85 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 41' ' ' LEU . 96.9 t -55.51 -50.72 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.882 0.372 . . . . 0.0 111.117 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -66.18 95.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 mt -57.28 -42.25 81.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 tptm -134.86 128.72 33.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -100.0 143.26 26.15 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.571 0.701 . . . . 0.0 110.896 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.82 133.21 24.91 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.62 2.213 . . . . 0.0 112.371 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.15 150.38 23.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.4 p -53.54 145.86 14.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 22' ' ' VAL . 34.3 m -144.45 117.2 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 113' ' ' ASP . 52.1 m -96.17 107.98 20.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.684 ' CG2' HG21 ' A' ' 87' ' ' VAL . 2.4 m -104.3 168.84 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -98.12 137.01 37.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 HG23 ' HA ' ' A' ' 88' ' ' VAL . 1.2 m -44.95 134.06 6.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.32 -13.65 67.12 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -90.26 179.8 5.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -109.81 120.91 43.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 149.44 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.1 137.48 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 79.0 t -133.8 125.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 87.4 t -96.6 138.3 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -159.69 126.64 4.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.5 mttt -105.36 153.25 21.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.62 119.26 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' HG2' ' A' ' 40' ' ' GLU . 42.4 t-20 -71.48 105.57 3.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' HA2' HD12 ' A' ' 41' ' ' LEU . . . -69.9 -47.31 47.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.536 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -47.32 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.736 0.303 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' HG2' ' ND2' ' A' ' 37' ' ' ASN . 49.9 mm-40 -45.76 -44.38 13.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 14' ' ' VAL . 13.5 mt -68.08 146.1 97.98 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.48 ' CG ' ' HB2' ' A' ' 102' ' ' LYS . 53.5 Cg_endo -69.76 -44.67 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -140.08 176.28 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -49.6 116.23 5.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.55 0.69 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.524 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.6 Cg_endo -69.75 161.98 43.86 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.726 2.284 . . . . 0.0 112.344 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 75.8 m -108.52 112.58 25.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.6 HG23 HD11 ' A' ' 97' ' ' LEU . 4.7 mp -90.51 130.14 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 26.9 mttm -152.58 125.65 8.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.604 ' CB ' HD12 ' A' ' 57' ' ' LEU . 89.0 m95 -96.98 131.78 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 48' ' ' LYS . 6.7 m-85 -130.71 150.25 51.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 53' ' ' LYS . 16.7 ttmt -103.27 89.04 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 50.83 -86.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' LYS . 14.8 mtmt -51.11 -176.09 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.874 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -82.02 38.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.967 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.8 mt -91.82 160.21 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -127.53 106.33 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD12 ' CB ' ' A' ' 49' ' ' TRP . 38.7 mt -49.7 -66.34 0.41 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' SER . . . 44.32 -93.33 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' GLY . 96.0 p 33.5 42.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.906 0.384 . . . . 0.0 110.843 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -85.43 41.02 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.869 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.5 m -119.11 39.29 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.812 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.26 43.48 5.27 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 65' ' ' PHE . . . -118.49 150.23 39.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.752 0.31 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HG2' ' N ' ' A' ' 65' ' ' PHE . 0.1 OUTLIER -34.96 -32.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' ALA . 38.0 m-85 -69.73 104.93 2.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -114.59 161.62 17.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -138.05 121.58 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -114.61 111.48 21.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -113.98 127.52 55.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.0 m -117.31 111.92 20.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.441 ' CE1' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -97.77 118.15 33.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.827 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' CB ' ' HB2' ' A' ' 75' ' ' SER . 82.3 m-20 -90.63 149.64 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.9 p -83.72 -62.05 1.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.88 -46.03 72.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.452 ' HB2' ' CB ' ' A' ' 72' ' ' ASN . 58.8 m -71.19 -43.61 67.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.0 t30 67.69 41.9 2.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 7.8 p -120.16 142.87 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -104.11 102.13 11.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.3 m -87.64 102.72 14.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 HG12 ' A' ' 47' ' ' ILE . 21.8 m -101.15 134.99 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -130.99 119.31 21.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.0 tp -88.66 123.41 33.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -119.49 116.61 26.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.838 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.7 mt -113.25 103.13 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.25 149.32 27.59 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.447 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt 61.94 48.17 5.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.798 0.332 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 28' ' ' LYS . 5.8 m -58.13 146.9 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.13 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.472 ' HA ' HG23 ' A' ' 26' ' ' THR . 29.1 m -136.01 162.68 36.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.177 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -51.51 -39.19 57.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -60.3 -25.01 62.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -76.98 -50.48 13.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.865 0.364 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -42.34 138.83 1.62 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 157.3 -105.5 0.27 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.452 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.561 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 3.0 t80 -151.05 155.56 39.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.92 0.391 . . . . 0.0 110.953 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.669 ' CE1' HD12 ' A' ' 112' ' ' ILE . 90.0 m-85 -139.87 175.38 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -157.76 143.54 17.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.6 HD11 HG23 ' A' ' 47' ' ' ILE . 29.0 tp -117.76 115.57 25.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -91.54 133.2 35.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.488 HG13 ' HB2' ' A' ' 45' ' ' PRO . 82.1 t -141.46 122.09 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -148.89 135.65 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.03 -72.39 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 42' ' ' PRO . 16.5 mmtp -124.41 -64.15 1.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -133.82 24.38 3.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 96.3 m -125.35 110.89 14.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 26.0 p -107.48 114.13 27.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.56 118.46 18.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 59.6 p -127.23 150.48 49.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 90.2 m -136.02 131.29 34.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -109.89 147.8 17.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 95' ' ' TYR . 1.5 p90 -129.21 -175.49 3.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -137.76 122.5 18.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.669 HD12 ' CE1' ' A' ' 95' ' ' TYR . 71.8 mt -113.2 146.67 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.095 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 23' ' ' SER . 2.1 t70 -123.36 141.94 51.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.1 t -122.78 90.99 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -59.79 115.95 3.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -51.37 150.89 5.82 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.569 0.699 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 166.57 27.14 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.342 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.2 tpp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -84.59 164.59 18.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 m -154.74 167.01 31.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.32 -86.73 0.35 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -81.31 151.71 27.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.375 . . . . 0.0 110.826 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -65.17 -28.51 69.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.822 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.75 115.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.71 69.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.757 0.313 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -98.33 140.25 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.12 158.27 0.38 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.675 0.75 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 139.6 40.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.681 2.254 . . . . 0.0 112.3 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -97.17 -44.71 6.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.24 140.55 46.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 ' OD2' ' A' ' 106' ' ' ASP . 6.6 m -68.38 -32.27 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' HD1' HG23 ' A' ' 14' ' ' VAL . 3.6 m-85 -91.43 89.55 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -52.47 -33.41 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -146.46 129.23 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -103.2 151.21 38.49 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.547 0.689 . . . . 0.0 110.928 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.419 ' HB3' ' CG1' ' A' ' 32' ' ' VAL . 53.4 Cg_endo -69.71 102.46 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.05 137.56 40.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 p -44.6 130.67 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.2 m -119.24 123.72 71.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.132 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.4 p -95.16 108.09 20.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.429 HG21 HG21 ' A' ' 87' ' ' VAL . 1.8 m -112.67 167.56 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.096 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -106.88 147.1 30.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.761 HG23 ' HA ' ' A' ' 88' ' ' VAL . 3.8 m -55.03 129.99 40.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.138 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.15 -1.91 68.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.828 ' O ' HG22 ' A' ' 87' ' ' VAL . 23.6 mmmt -101.13 -175.32 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.339 . . . . 0.0 110.872 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -113.65 122.55 47.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.86 154.77 20.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.439 HG22 ' ND1' ' A' ' 83' ' ' HIS . 96.1 t -149.1 132.38 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 19' ' ' PRO . 57.6 t -126.37 143.31 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 83.3 t -120.66 134.31 64.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.75 127.09 9.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -108.38 152.55 24.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.2 t -133.2 122.45 45.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.145 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.45 101.65 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LEU . . . -61.26 -50.7 64.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.514 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.443 ' HG3' ' CB ' ' A' ' 76' ' ' ASN . 48.6 mttt -40.09 -49.72 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.728 0.299 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -55.3 -37.3 67.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' ' 45' ' ' PRO . 4.5 mt -84.7 142.27 39.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.597 0.713 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -36.67 10.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -146.22 170.79 16.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -46.24 116.33 3.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.617 ' HB2' HG13 ' A' ' 99' ' ' VAL . 53.8 Cg_endo -69.8 -179.62 3.05 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.445 ' CG2' ' HE2' ' A' ' 48' ' ' LYS . 53.9 m -119.23 112.93 20.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.689 HG23 HD11 ' A' ' 97' ' ' LEU . 4.0 mp -95.26 124.14 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HE2' ' CG2' ' A' ' 46' ' ' THR . 67.5 mttm -142.06 123.08 14.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.98 118.95 31.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -111.33 147.33 35.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 53' ' ' LYS . 38.9 tttt -111.34 95.32 5.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 47.3 -90.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 5.9 ttmt -53.03 -174.12 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -83.48 30.2 0.49 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.12 169.48 17.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -130.88 123.47 29.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 35.0 mt -93.75 165.44 12.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 117.1 -111.56 2.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.445 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 m -73.29 -49.05 29.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.86 -179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -78.33 117.6 19.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.9 m 62.03 53.51 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -146.38 116.86 0.9 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -132.23 -57.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.343 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -85.58 19.56 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 65' ' ' PHE . 3.4 m-85 -110.59 123.29 49.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.9 m -121.76 124.34 43.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 1.2 m-85 -113.73 138.39 50.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.8 mtpp -134.6 116.53 15.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -108.1 115.94 31.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.5 t -107.23 105.9 16.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -86.92 139.52 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -108.48 157.01 18.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.7 m -107.38 -23.5 12.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.85 -64.94 1.0 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.114 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 70.4 m -67.05 -13.73 62.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' CB ' ' HG3' ' A' ' 39' ' ' LYS . 7.5 m-20 50.89 43.98 28.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 11.9 p -122.12 145.74 28.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -108.5 109.77 21.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -89.55 107.26 18.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.44 127.41 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -122.3 149.13 44.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 tp -123.0 112.12 17.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.439 ' ND1' HG22 ' A' ' 31' ' ' VAL . 16.0 m-70 -104.89 137.74 42.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.827 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 20.1 mt -131.39 108.92 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -85.48 155.24 29.31 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 67.9 mttt 51.97 53.64 12.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.828 HG22 ' O ' ' A' ' 28' ' ' LYS . 2.0 m -68.07 135.95 27.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.761 ' HA ' HG23 ' A' ' 26' ' ' THR . 16.7 m -126.69 166.98 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -34.75 64.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.67 -8.0 59.46 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -94.28 -36.78 11.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' HB3' HG23 ' A' ' 114' ' ' VAL . 5.2 ptt-85 -53.54 134.13 40.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.29 -130.27 1.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.557 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.507 ' CD1' ' C ' ' A' ' 94' ' ' TYR . 2.3 t80 -132.52 137.79 47.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.894 0.378 . . . . 0.0 110.92 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.613 ' CB ' ' CZ ' ' A' ' 110' ' ' PHE . 89.1 m-85 -116.85 154.45 30.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.94 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -134.85 137.37 43.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.689 HD11 HG23 ' A' ' 47' ' ' ILE . 32.6 tp -119.38 125.01 47.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -105.7 138.89 41.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.617 HG13 ' HB2' ' A' ' 45' ' ' PRO . 75.5 t -143.0 110.07 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.11 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -141.67 129.79 22.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.04 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.8 mttp -125.21 -74.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -108.87 -16.96 14.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 80.2 m -85.93 129.22 34.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.3 p -127.38 117.49 22.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.594 ' OD2' HG21 ' A' ' 14' ' ' VAL . 0.5 OUTLIER -142.87 138.9 30.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 93.7 p -143.24 147.13 34.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 75.1 m -143.68 124.8 14.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -106.82 174.23 19.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.494 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.613 ' CZ ' ' CB ' ' A' ' 95' ' ' TYR . 1.0 OUTLIER -146.68 -176.91 5.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.87 0.367 . . . . 0.0 110.875 -179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.519 ' ND2' ' N ' ' A' ' 111' ' ' ASN . 0.0 OUTLIER -139.39 133.06 30.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mt -115.44 150.29 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.66 126.19 39.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.531 HG23 ' HB3' ' A' ' 92' ' ' ARG . 23.9 t -107.91 95.77 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -83.13 126.51 32.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -71.72 153.42 93.32 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.57 0.7 . . . . 0.0 111.135 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 176.64 6.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.671 2.248 . . . . 0.0 112.348 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.931 . . . . . . . . 0 0 . 1 stop_ save_